CID 473357

N'-(5-phenyl-3h-1,4-benzodiazepin-2-yl)pyrazine-2-carbohydrazide

Structural Information

Molecular Formula
C20H16N6O
SMILES
C1C(=NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)NNC(=O)C4=NC=CN=C4
InChI
InChI=1S/C20H16N6O/c27-20(17-12-21-10-11-22-17)26-25-18-13-23-19(14-6-2-1-3-7-14)15-8-4-5-9-16(15)24-18/h1-12H,13H2,(H,24,25)(H,26,27)
InChIKey
VYGFUHSVCLRQOQ-UHFFFAOYSA-N
Compound name
N'-(5-phenyl-3H-1,4-benzodiazepin-2-yl)pyrazine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.13855 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14583 187.3
[M+Na]+ 379.12777 194.0
[M-H]- 355.13127 193.9
[M+NH4]+ 374.17237 194.0
[M+K]+ 395.10171 192.0
[M+H-H2O]+ 339.13581 174.4
[M+HCOO]- 401.13675 206.1
[M+CH3COO]- 415.15240 195.5
[M+Na-2H]- 377.11322 196.1
[M]+ 356.13800 183.1
[M]- 356.13910 183.1
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.