PubChemLite - 7635-03-2 (C23H37NO2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OCCN(C)C)C

InChI

InChI=1S/C23H37NO2/c1-22-11-9-17(26-14-13-24(3)4)15-16(22)5-6-18-19-7-8-21(25)23(19,2)12-10-20(18)22/h5,17-20H,6-15H2,1-4H3/t17-,18-,19-,20-,22-,23-/m0/s1

InChIKey

RGEMJCLUPGZKTQ-WAUHAFJUSA-N

Compound name

(3S,8R,9S,10R,13S,14S)-3-[2-(dimethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

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]+	360.28972	192.0
[M+Na]+	382.27166	199.9
[M+NH4]+	377.31626	204.2
[M+K]+	398.24560	190.1
[M-H]-	358.27516	195.4
[M+Na-2H]-	380.25711	194.2
[M]+	359.28189	194.3
[M]-	359.28299	194.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

360.28972

192.0

[M+Na]+

382.27166

199.9

[M+NH4]+

377.31626

204.2

[M+K]+

398.24560

190.1

[M-H]-

358.27516

195.4

[M+Na-2H]-

380.25711

194.2

[M]+

359.28189

194.3

[M]-

359.28299

194.3

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

7635-03-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe