CID 13339174

2-amino-5-phenyl-4,5-dihydro-3h-1,3-benzodiazepine hydrochloride

Structural Information

Molecular Formula
C15H15N3
SMILES
C1C(C2=CC=CC=C2NC(=N1)N)C3=CC=CC=C3
InChI
InChI=1S/C15H15N3/c16-15-17-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-15/h1-9,13H,10H2,(H3,16,17,18)
InChIKey
CPXCYRDZESLCST-UHFFFAOYSA-N
Compound name
5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

237.1266 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 154.4
[M+Na]+ 260.11582 160.8
[M-H]- 236.11932 158.7
[M+NH4]+ 255.16042 168.3
[M+K]+ 276.08976 159.3
[M+H-H2O]+ 220.12386 146.2
[M+HCOO]- 282.12480 172.7
[M+CH3COO]- 296.14045 164.8
[M+Na-2H]- 258.10127 161.3
[M]+ 237.12605 146.9
[M]- 237.12715 146.9
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