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 161.0
[M+Na]+ 294.07684 169.7
[M-H]- 270.08034 165.1
[M+NH4]+ 289.12144 174.8
[M+K]+ 310.05078 166.9
[M+H-H2O]+ 254.08488 152.6
[M+HCOO]- 316.08582 175.0
[M+CH3COO]- 330.10147 171.4
[M+Na-2H]- 292.06229 166.7
[M]+ 271.08707 155.9
[M]- 271.08817 155.9
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