CID 364806

Nsc631564

Structural Information

Molecular Formula
C14H14Cl2N5O4
SMILES
C1=CC=[N+](C=C1)CC(=O)NNC(=O)CCN2C(=O)C(=C(C(=O)N2)Cl)Cl
InChI
InChI=1S/C14H13Cl2N5O4/c15-11-12(16)14(25)21(19-13(11)24)7-4-9(22)17-18-10(23)8-20-5-2-1-3-6-20/h1-3,5-6H,4,7-8H2,(H2-,17,18,19,22,23,24,25)/p+1
InChIKey
PYLGWINKUKBDRB-UHFFFAOYSA-O
Compound name
3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N'-(2-pyridin-1-ium-1-ylacetyl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04958 180.0
[M+Na]+ 409.03152 188.4
[M-H]- 385.03502 181.7
[M+NH4]+ 404.07612 187.4
[M+K]+ 425.00546 176.6
[M+H-H2O]+ 369.03956 174.2
[M+HCOO]- 431.04050 190.5
[M+CH3COO]- 445.05615 208.2
[M+Na-2H]- 407.01697 185.4
[M]+ 386.04175 182.2
[M]- 386.04285 182.2
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.