CID 13339180

2-amino-5-(4-chlorophenyl)-4,5-dihydro-3h-1,3-benzodiazepine hydrochloride

Structural Information

Molecular Formula
C15H14ClN3
SMILES
C1C(C2=CC=CC=C2NC(=N1)N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H14ClN3/c16-11-7-5-10(6-8-11)13-9-18-15(17)19-14-4-2-1-3-12(13)14/h1-8,13H,9H2,(H3,17,18,19)
InChIKey
LFLSJCJFRFNYLK-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.08762 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09490 160.7
[M+Na]+ 294.07684 174.4
[M+NH4]+ 289.12144 168.9
[M+K]+ 310.05078 167.2
[M-H]- 270.08034 165.1
[M+Na-2H]- 292.06229 169.0
[M]+ 271.08707 164.3
[M]- 271.08817 164.3
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