CID 135417154

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

Structural Information

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

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.232526 169.3
[M+Na]+ 307.214468 170.1
[M-H]- 283.217974 174.5
[M+NH4]+ 302.259073 183.0
[M+K]+ 323.188408 169.3
[M+H-H2O]+ 267.222510 161.2
[M+HCOO]- 329.223451 183.2
[M+CH3COO]- 343.239101 177.4
[M+Na-2H]- 305.199916 170.3
[M]+ 284.22470142 158.2
[M]- 284.22579858 158.2
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.