PubChemLite - (3-alpha,16-alpha)-eburnamenin-14(15h)-one o-(2-(1-pyrrolidinyl)ethyl)oxime dihydrochloride h2 (C25H34N4O)

Structural Information

Molecular Formula

SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4/C(=N\OCCN6CCCC6)/C2

InChI

InChI=1S/C25H34N4O/c1-2-25-11-7-14-28-15-10-20-19-8-3-4-9-21(19)29(23(20)24(25)28)22(18-25)26-30-17-16-27-12-5-6-13-27/h3-4,8-9,24H,2,5-7,10-18H2,1H3/b26-22-/t24-,25+/m1/s1

InChIKey

WNXADUUBPICNOF-FHOFUINGSA-N

Compound name

(Z,15S,19S)-15-ethyl-N-(2-pyrrolidin-1-ylethoxy)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-imine

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]+	407.28053	196.6
[M+Na]+	429.26247	200.1
[M-H]-	405.26597	200.3
[M+NH4]+	424.30707	212.6
[M+K]+	445.23641	193.1
[M+H-H2O]+	389.27051	183.9
[M+HCOO]-	451.27145	206.2
[M+CH3COO]-	465.28710	203.1
[M+Na-2H]-	427.24792	196.0
[M]+	406.27270	194.0
[M]-	406.27380	194.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.28053

196.6

[M+Na]+

429.26247

200.1

[M-H]-

405.26597

200.3

[M+NH4]+

424.30707

212.6

[M+K]+

445.23641

193.1

[M+H-H2O]+

389.27051

183.9

[M+HCOO]-

451.27145

206.2

[M+CH3COO]-

465.28710

203.1

[M+Na-2H]-

427.24792

196.0

[M]+

406.27270

194.0

[M]-

406.27380

194.0

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-(1-pyrrolidinyl)ethyl)oxime dihydrochloride h2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe