CID 91277

Trepipam

Structural Information

Molecular Formula
C19H23NO2
SMILES
CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C19H23NO2/c1-20-10-9-15-11-18(21-2)19(22-3)12-16(15)17(13-20)14-7-5-4-6-8-14/h4-8,11-12,17H,9-10,13H2,1-3H3/t17-/m1/s1
InChIKey
ICPHJSKVAZMKIV-QGZVFWFLSA-N
Compound name
(5R)-7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

2440
Patents

297.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 169.5
[M+Na]+ 320.16210 175.6
[M-H]- 296.16560 176.6
[M+NH4]+ 315.20670 183.9
[M+K]+ 336.13604 176.0
[M+H-H2O]+ 280.17014 162.1
[M+HCOO]- 342.17108 187.7
[M+CH3COO]- 356.18673 180.2
[M+Na-2H]- 318.14755 172.8
[M]+ 297.17233 168.0
[M]- 297.17343 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.