CID 135417152

3h-1-benzazepine, 4,5-dihydro-8-cyclohexyl-2-(propylamino)-, monohydrochloride

Structural Information

Molecular Formula
C19H28N2
SMILES
CCCN=C1CCCC2=C(N1)C=C(C=C2)C3CCCCC3
InChI
InChI=1S/C19H28N2/c1-2-13-20-19-10-6-9-16-11-12-17(14-18(16)21-19)15-7-4-3-5-8-15/h11-12,14-15H,2-10,13H2,1H3,(H,20,21)
InChIKey
MJPVCONDAGSVFW-UHFFFAOYSA-N
Compound name
8-cyclohexyl-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.22525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.23253 169.7
[M+Na]+ 307.21447 170.8
[M-H]- 283.21797 174.7
[M+NH4]+ 302.25907 183.4
[M+K]+ 323.18841 169.3
[M+H-H2O]+ 267.22251 161.4
[M+HCOO]- 329.22345 184.5
[M+CH3COO]- 343.23910 177.8
[M+Na-2H]- 305.19992 171.7
[M]+ 284.22470 159.2
[M]- 284.22580 159.2
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.