PubChemLite - 16beta-hydroxyfurazabol (C20H30N2O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@]2(C)O)O)CC[C@@H]4[C@@]3(CC5=NON=C5C4)C

InChI

InChI=1S/C20H30N2O3/c1-18-10-16-15(21-25-22-16)8-11(18)4-5-12-13(18)6-7-19(2)14(12)9-17(23)20(19,3)24/h11-14,17,23-24H,4-10H2,1-3H3/t11-,12+,13-,14-,17-,18-,19-,20-/m0/s1

InChIKey

WWOPKCRAWYWZPG-UFMRLNGZSA-N

Compound name

(1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-trimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-diene-16,17-diol

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]+	347.23293	184.7
[M+Na]+	369.21487	192.4
[M-H]-	345.21837	186.3
[M+NH4]+	364.25947	206.1
[M+K]+	385.18881	187.0
[M+H-H2O]+	329.22291	177.4
[M+HCOO]-	391.22385	189.5
[M+CH3COO]-	405.23950	192.9
[M+Na-2H]-	367.20032	185.0
[M]+	346.22510	180.4
[M]-	346.22620	180.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

347.23293

184.7

[M+Na]+

369.21487

192.4

[M-H]-

345.21837

186.3

[M+NH4]+

364.25947

206.1

[M+K]+

385.18881

187.0

[M+H-H2O]+

329.22291

177.4

[M+HCOO]-

391.22385

189.5

[M+CH3COO]-

405.23950

192.9

[M+Na-2H]-

367.20032

185.0

[M]+

346.22510

180.4

[M]-

346.22620

180.4

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

16beta-hydroxyfurazabol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe