CID 55764

An-19

Structural Information

Molecular Formula

C₁₅H₁₄N₄

SMILES

C1C(=NC2=CC=CC=C2N=C1NN)C3=CC=CC=C3

InChI

InChI=1S/C15H14N4/c16-19-15-10-14(11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10,16H2,(H,18,19)

InChIKey

VOOFJKVEZSPFFE-UHFFFAOYSA-N

Compound name

(2-phenyl-3H-1,5-benzodiazepin-4-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 250.12184 Da
Monoisotopic Mass: 1.7
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]+	251.129116	157.5
[M+Na]+	273.111058	164.7
[M-H]-	249.114564	163.5
[M+NH4]+	268.155663	171.4
[M+K]+	289.084998	164.0
[M+H-H2O]+	233.119100	148.6
[M+HCOO]-	295.120041	179.6
[M+CH3COO]-	309.135691	168.6
[M+Na-2H]-	271.096506	166.3
[M]+	250.12129142	152.5
[M]-	250.12238858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe