(3-alpha,16-alpha)-eburnamenin-14(15h)-one oxime hydrochloride (C19H23N3O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H23N3O/c1-2-19-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(16(12-19)20-23)17(14)18(19)21/h3-4,6-7,18,23H,2,5,8-12H2,1H3/b20-16-/t18-,19+/m1/s1

InChIKey

HPVDZBKXWQJQRP-FVQWEEDQSA-N

Compound name

(NZ)-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-ylidene]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]+	310.191376	171.3
[M+Na]+	332.173318	178.3
[M-H]-	308.176824	173.3
[M+NH4]+	327.217923	191.1
[M+K]+	348.147258	171.8
[M+H-H2O]+	292.181360	161.3
[M+HCOO]-	354.182301	183.6
[M+CH3COO]-	368.197951	180.6
[M+Na-2H]-	330.158766	177.1
[M]+	309.18355142	169.4
[M]-	309.18464858	169.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

310.191376

171.3

[M+Na]+

332.173318

178.3

[M-H]-

308.176824

173.3

[M+NH4]+

327.217923

191.1

[M+K]+

348.147258

171.8

[M+H-H2O]+

292.181360

161.3

[M+HCOO]-

354.182301

183.6

[M+CH3COO]-

368.197951

180.6

[M+Na-2H]-

330.158766

177.1

[M]+

309.18355142

169.4

[M]-

309.18464858

169.4

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 oxime hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe