PubChemLite - (3-alpha,16-alpha)-eburnamenin-14(15h)-one o-(2-(diethylamino)ethyl)oxime dihydrochloride h2o (C25H36N4O)

Structural Information

Molecular Formula

SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4/C(=N\OCCN(CC)CC)/C2

InChI

InChI=1S/C25H36N4O/c1-4-25-13-9-14-28-15-12-20-19-10-7-8-11-21(19)29(23(20)24(25)28)22(18-25)26-30-17-16-27(5-2)6-3/h7-8,10-11,24H,4-6,9,12-18H2,1-3H3/b26-22-/t24-,25+/m1/s1

InChIKey

CIIHGFHJTONEFX-FHOFUINGSA-N

Compound name

N,N-diethyl-2-[(Z)-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ylidene]amino]oxyethanamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	409.29618	200.0
[M+Na]+	431.27812	203.3
[M-H]-	407.28162	202.9
[M+NH4]+	426.32272	216.3
[M+K]+	447.25206	197.9
[M+H-H2O]+	391.28616	188.0
[M+HCOO]-	453.28710	212.8
[M+CH3COO]-	467.30275	207.0
[M+Na-2H]-	429.26357	203.0
[M]+	408.28835	201.8
[M]-	408.28945	201.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.29618

200.0

[M+Na]+

431.27812

203.3

[M-H]-

407.28162

202.9

[M+NH4]+

426.32272

216.3

[M+K]+

447.25206

197.9

[M+H-H2O]+

391.28616

188.0

[M+HCOO]-

453.28710

212.8

[M+CH3COO]-

467.30275

207.0

[M+Na-2H]-

429.26357

203.0

[M]+

408.28835

201.8

[M]-

408.28945

201.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(3-alpha,16-alpha)-eburnamenin-14(15h)-one o-(2-(diethylamino)ethyl)oxime dihydrochloride h2o

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe