PubChemLite - Funtumidine (C21H37NO)

Structural Information

Molecular Formula

SMILES

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C)O

InChI

InChI=1S/C21H37NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,23H,4-12,22H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

VIQFMADXQMGZER-CGVINKDUSA-N

Compound name

(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol

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]+	320.29478	183.0
[M+Na]+	342.27672	185.4
[M-H]-	318.28022	184.6
[M+NH4]+	337.32132	204.8
[M+K]+	358.25066	179.5
[M+H-H2O]+	302.28476	177.0
[M+HCOO]-	364.28570	189.4
[M+CH3COO]-	378.30135	190.1
[M+Na-2H]-	340.26217	180.1
[M]+	319.28695	171.7
[M]-	319.28805	171.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

320.29478

183.0

[M+Na]+

342.27672

185.4

[M-H]-

318.28022

184.6

[M+NH4]+

337.32132

204.8

[M+K]+

358.25066

179.5

[M+H-H2O]+

302.28476

177.0

[M+HCOO]-

364.28570

189.4

[M+CH3COO]-

378.30135

190.1

[M+Na-2H]-

340.26217

180.1

[M]+

319.28695

171.7

[M]-

319.28805

171.7

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

Funtumidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe