CID 135472561

3h-1-benzazepin-2-amine, 4,5-dihydro-n-butyl-, monohydrochloride

Structural Information

Molecular Formula
C14H20N2
SMILES
CCCCN=C1CCCC2=CC=CC=C2N1
InChI
InChI=1S/C14H20N2/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)16-14/h4-5,7,9H,2-3,6,8,10-11H2,1H3,(H,15,16)
InChIKey
SXAYFCFDXKGTLL-UHFFFAOYSA-N
Compound name
N-butyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

216.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 148.3
[M+Na]+ 239.151858 152.1
[M-H]- 215.155364 151.6
[M+NH4]+ 234.196463 165.1
[M+K]+ 255.125798 152.2
[M+H-H2O]+ 199.159900 141.5
[M+HCOO]- 261.160841 167.6
[M+CH3COO]- 275.176491 192.8
[M+Na-2H]- 237.137306 154.4
[M]+ 216.16209142 142.4
[M]- 216.16318858 142.4
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