CID 6482585

N'-[(3-nitrophenyl)methyl]-n-(pyridine-4-carbonyl)pyrazine-2-carbohydrazide

Structural Information

Molecular Formula
C18H14N6O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CNN(C(=O)C2=CC=NC=C2)C(=O)C3=NC=CN=C3
InChI
InChI=1S/C18H14N6O4/c25-17(14-4-6-19-7-5-14)23(18(26)16-12-20-8-9-21-16)22-11-13-2-1-3-15(10-13)24(27)28/h1-10,12,22H,11H2
InChIKey
MUBWYLLYJOJXCO-UHFFFAOYSA-N
Compound name
N'-[(3-nitrophenyl)methyl]-N-(pyridine-4-carbonyl)pyrazine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.10767 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11495 180.9
[M+Na]+ 401.09689 183.4
[M-H]- 377.10039 187.7
[M+NH4]+ 396.14149 185.9
[M+K]+ 417.07083 176.2
[M+H-H2O]+ 361.10493 172.6
[M+HCOO]- 423.10587 203.1
[M+CH3COO]- 437.12152 216.5
[M+Na-2H]- 399.08234 189.9
[M]+ 378.10712 178.5
[M]- 378.10822 178.5
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.