PubChemLite - Apovincaldehyde oxime (C20H23N3O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H23N3O/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/h3-4,6-7,12-13,19,24H,2,5,8-11H2,1H3/b21-13+/t19-,20+/m1/s1

InChIKey

BENAVZWDVSUYEV-ZXRHXNHJSA-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),16-pentaen-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]+	322.19138	174.9
[M+Na]+	344.17332	182.4
[M-H]-	320.17682	177.2
[M+NH4]+	339.21792	194.4
[M+K]+	360.14726	175.6
[M+H-H2O]+	304.18136	164.8
[M+HCOO]-	366.18230	188.3
[M+CH3COO]-	380.19795	184.3
[M+Na-2H]-	342.15877	181.3
[M]+	321.18355	174.8
[M]-	321.18465	174.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

322.19138

174.9

[M+Na]+

344.17332

182.4

[M-H]-

320.17682

177.2

[M+NH4]+

339.21792

194.4

[M+K]+

360.14726

175.6

[M+H-H2O]+

304.18136

164.8

[M+HCOO]-

366.18230

188.3

[M+CH3COO]-

380.19795

184.3

[M+Na-2H]-

342.15877

181.3

[M]+

321.18355

174.8

[M]-

321.18465

174.8

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

Apovincaldehyde oxime

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe