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
3
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

literature stripe

Patent stripe

patents stripe