CID 13339174

94568-00-0

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: 2
Patents: 237.1266 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.133876	154.4
[M+Na]+	260.115818	160.8
[M-H]-	236.119324	158.7
[M+NH4]+	255.160423	168.3
[M+K]+	276.089758	159.3
[M+H-H2O]+	220.123860	146.2
[M+HCOO]-	282.124801	172.7
[M+CH3COO]-	296.140451	164.8
[M+Na-2H]-	258.101266	161.3
[M]+	237.12605142	146.9
[M]-	237.12714858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe