Eburnamenine-14-carboxaldehyde, 14,15-dihydro-, oxime, (3-alpha,16-alpha)- (C20H25N3O)

Structural Information

Molecular Formula

SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(C2)/C=N/O

InChI

InChI=1S/C20H25N3O/c1-2-20-9-5-10-22-11-8-16-15-6-3-4-7-17(15)23(18(16)19(20)22)14(12-20)13-21-24/h3-4,6-7,13-14,19,24H,2,5,8-12H2,1H3/b21-13+/t14?,19-,20+/m1/s1

InChIKey

RNHQTTKBVIUJPA-MHZLKGOJSA-N

Compound name

(NE)-N-[[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]methylidene]hydroxylamine

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]+	324.207046	175.8
[M+Na]+	346.188988	182.2
[M-H]-	322.192494	177.5
[M+NH4]+	341.233593	195.0
[M+K]+	362.162928	175.5
[M+H-H2O]+	306.197030	165.6
[M+HCOO]-	368.197971	187.7
[M+CH3COO]-	382.213621	184.6
[M+Na-2H]-	344.174436	181.1
[M]+	323.19922142	174.1
[M]-	323.20031858	174.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

324.207046

175.8

[M+Na]+

346.188988

182.2

[M-H]-

322.192494

177.5

[M+NH4]+

341.233593

195.0

[M+K]+

362.162928

175.5

[M+H-H2O]+

306.197030

165.6

[M+HCOO]-

368.197971

187.7

[M+CH3COO]-

382.213621

184.6

[M+Na-2H]-

344.174436

181.1

[M]+

323.19922142

174.1

[M]-

323.20031858

174.1

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

Eburnamenine-14-carboxaldehyde, 14,15-dihydro-, oxime, (3-alpha,16-alpha)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe