Hydroxystenozole (C21H30N2O)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC5=C(C[C@]34C)C=NN5

InChI

InChI=1S/C21H30N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h10,12,15-17,24H,4-9,11H2,1-3H3,(H,22,23)/t15-,16+,17+,19+,20+,21+/m1/s1

InChIKey

OIIHTRLQCQVVQC-OBQKJFGGSA-N

Compound name

(1S,2R,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol

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]+	327.243076	184.2
[M+Na]+	349.225018	191.8
[M-H]-	325.228524	185.2
[M+NH4]+	344.269623	207.7
[M+K]+	365.198958	183.6
[M+H-H2O]+	309.233060	175.7
[M+HCOO]-	371.234001	190.9
[M+CH3COO]-	385.249651	192.3
[M+Na-2H]-	347.210466	184.2
[M]+	326.23525142	177.6
[M]-	326.23634858	177.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.243076

184.2

[M+Na]+

349.225018

191.8

[M-H]-

325.228524

185.2

[M+NH4]+

344.269623

207.7

[M+K]+

365.198958

183.6

[M+H-H2O]+

309.233060

175.7

[M+HCOO]-

371.234001

190.9

[M+CH3COO]-

385.249651

192.3

[M+Na-2H]-

347.210466

184.2

[M]+

326.23525142

177.6

[M]-

326.23634858

177.6

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

Hydroxystenozole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe