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

0
Patents

250.12184 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12912 157.5
[M+Na]+ 273.11106 164.7
[M-H]- 249.11456 163.5
[M+NH4]+ 268.15566 171.4
[M+K]+ 289.08500 164.0
[M+H-H2O]+ 233.11910 148.6
[M+HCOO]- 295.12004 179.6
[M+CH3COO]- 309.13569 168.6
[M+Na-2H]- 271.09651 166.3
[M]+ 250.12129 152.5
[M]- 250.12239 152.5
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

No patent data available for this compound.