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

2458
Patents

297.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 169.5
[M+Na]+ 320.162098 175.6
[M-H]- 296.165604 176.6
[M+NH4]+ 315.206703 183.9
[M+K]+ 336.136038 176.0
[M+H-H2O]+ 280.170140 162.1
[M+HCOO]- 342.171081 187.7
[M+CH3COO]- 356.186731 180.2
[M+Na-2H]- 318.147546 172.8
[M]+ 297.17233142 168.0
[M]- 297.17342858 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.