Zenazocine mesylate (C23H35NO2)

Structural Information

Molecular Formula

SMILES

CC(C)CCC(=O)CC[C@@]1([C@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)O)C

InChI

InChI=1S/C23H35NO2/c1-16(2)6-8-18(25)10-11-23(4)21-14-17-7-9-19(26)15-20(17)22(23,3)12-13-24(21)5/h7,9,15-16,21,26H,6,8,10-14H2,1-5H3/t21-,22+,23-/m1/s1

InChIKey

JZFZEWWOIOYBTQ-XPWALMASSA-N

Compound name

1-[(1S,9R,13S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-6-methylheptan-3-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]+	358.274056	191.5
[M+Na]+	380.255998	196.5
[M-H]-	356.259504	191.1
[M+NH4]+	375.300603	209.1
[M+K]+	396.229938	191.7
[M+H-H2O]+	340.264040	184.3
[M+HCOO]-	402.264981	200.1
[M+CH3COO]-	416.280631	219.9
[M+Na-2H]-	378.241446	192.1
[M]+	357.26623142	191.5
[M]-	357.26732858	191.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.274056

191.5

[M+Na]+

380.255998

196.5

[M-H]-

356.259504

191.1

[M+NH4]+

375.300603

209.1

[M+K]+

396.229938

191.7

[M+H-H2O]+

340.264040

184.3

[M+HCOO]-

402.264981

200.1

[M+CH3COO]-

416.280631

219.9

[M+Na-2H]-

378.241446

192.1

[M]+

357.26623142

191.5

[M]-

357.26732858

191.5

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

Zenazocine mesylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe