CID 135574823

3h-1-benzazepine, 4,5-dihydro-2-(cyclopropylamino)-7-methoxy-3-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C20H22N2O
SMILES
COC1=CC2=C(C=C1)NC(=NC3CC3)C(CC2)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2O/c1-23-17-10-12-19-15(13-17)7-11-18(14-5-3-2-4-6-14)20(22-19)21-16-8-9-16/h2-6,10,12-13,16,18H,7-9,11H2,1H3,(H,21,22)
InChIKey
HBSXBDIYWFWNHW-UHFFFAOYSA-N
Compound name
N-cyclopropyl-7-methoxy-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.17322 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.180496 169.1
[M+Na]+ 329.162438 175.0
[M-H]- 305.165944 178.7
[M+NH4]+ 324.207043 177.9
[M+K]+ 345.136378 173.7
[M+H-H2O]+ 289.170480 161.2
[M+HCOO]- 351.171421 188.5
[M+CH3COO]- 365.187071 178.7
[M+Na-2H]- 327.147886 173.3
[M]+ 306.17267142 165.8
[M]- 306.17376858 165.8
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.