PubChemLite - (3-alpha,16-alpha)-eburnamenin-14(15h)-one o-(2-(dimethylamino)ethyl)oxime hydrochloride h2o (C23H32N4O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H32N4O/c1-4-23-11-7-12-26-13-10-18-17-8-5-6-9-19(17)27(21(18)22(23)26)20(16-23)24-28-15-14-25(2)3/h5-6,8-9,22H,4,7,10-16H2,1-3H3/b24-20-/t22-,23+/m1/s1

InChIKey

MGAYSVNYVRGLLT-ZDEDIORFSA-N

Compound name

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]oxy-N,N-dimethylethanamine

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]+	381.26488	191.1
[M+Na]+	403.24682	195.5
[M-H]-	379.25032	194.6
[M+NH4]+	398.29142	208.7
[M+K]+	419.22076	190.5
[M+H-H2O]+	363.25486	179.6
[M+HCOO]-	425.25580	204.7
[M+CH3COO]-	439.27145	199.1
[M+Na-2H]-	401.23227	195.2
[M]+	380.25705	192.5
[M]-	380.25815	192.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.26488

191.1

[M+Na]+

403.24682

195.5

[M-H]-

379.25032

194.6

[M+NH4]+

398.29142

208.7

[M+K]+

419.22076

190.5

[M+H-H2O]+

363.25486

179.6

[M+HCOO]-

425.25580

204.7

[M+CH3COO]-

439.27145

199.1

[M+Na-2H]-

401.23227

195.2

[M]+

380.25705

192.5

[M]-

380.25815

192.5

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-(dimethylamino)ethyl)oxime hydrochloride h2o

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe