Daeam (C24H40N2O2)

Structural Information

Molecular Formula

SMILES

C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N/OC)CC=C4[C@@]3(CCC(C4)OCCN(C)C)C

InChI

InChI=1S/C24H40N2O2/c1-23-12-10-18(28-15-14-26(3)4)16-17(23)6-7-19-20-8-9-22(25-27-5)24(20,2)13-11-21(19)23/h6,18-21H,7-16H2,1-5H3/b25-22-/t18?,19-,20-,21-,23-,24-/m0/s1

InChIKey

CXQGUEILDLJPNP-WUCUOXKPSA-N

Compound name

2-[[(8R,9S,10R,13S,14S,17Z)-17-methoxyimino-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]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]+	389.316276	196.2
[M+Na]+	411.298218	198.4
[M-H]-	387.301724	201.8
[M+NH4]+	406.342823	216.8
[M+K]+	427.272158	194.8
[M+H-H2O]+	371.306260	188.0
[M+HCOO]-	433.307201	209.4
[M+CH3COO]-	447.322851	233.5
[M+Na-2H]-	409.283666	195.9
[M]+	388.30845142	193.5
[M]-	388.30954858	193.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.316276

196.2

[M+Na]+

411.298218

198.4

[M-H]-

387.301724

201.8

[M+NH4]+

406.342823

216.8

[M+K]+

427.272158

194.8

[M+H-H2O]+

371.306260

188.0

[M+HCOO]-

433.307201

209.4

[M+CH3COO]-

447.322851

233.5

[M+Na-2H]-

409.283666

195.9

[M]+

388.30845142

193.5

[M]-

388.30954858

193.5

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

Daeam

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe