CID 14707

Phenazocine

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1C2CC3=C(C1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O
InChI
InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3
InChIKey
ZQHYKVKNPWDQSL-UHFFFAOYSA-N
Compound name
1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

523
References

11584
Patents

321.20926 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 180.8
[M+Na]+ 344.19848 187.0
[M-H]- 320.20198 184.1
[M+NH4]+ 339.24308 197.6
[M+K]+ 360.17242 180.3
[M+H-H2O]+ 304.20652 171.2
[M+HCOO]- 366.20746 193.0
[M+CH3COO]- 380.22311 189.7
[M+Na-2H]- 342.18393 184.9
[M]+ 321.20871 177.9
[M]- 321.20981 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe