CID 135481897

3h-1-benzazepin-2-amine, 4,5-dihydro-n-(2-methylpropyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H20N2
SMILES
CC(C)CN=C1CCCC2=CC=CC=C2N1
InChI
InChI=1S/C14H20N2/c1-11(2)10-15-14-9-5-7-12-6-3-4-8-13(12)16-14/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,15,16)
InChIKey
PHXRFTGKXJBGMW-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.16264 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 148.1
[M+Na]+ 239.151858 151.7
[M-H]- 215.155364 151.6
[M+NH4]+ 234.196463 164.9
[M+K]+ 255.125798 152.3
[M+H-H2O]+ 199.159900 141.5
[M+HCOO]- 261.160841 166.5
[M+CH3COO]- 275.176491 193.5
[M+Na-2H]- 237.137306 153.2
[M]+ 216.16209142 141.7
[M]- 216.16318858 141.7
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

patents stripe