CID 365864

Nsc633939

Structural Information

Molecular Formula
C8H9Cl2N5O4
SMILES
C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C(=O)NNC(=O)N
InChI
InChI=1S/C8H9Cl2N5O4/c9-4-5(10)7(18)15(14-6(4)17)2-1-3(16)12-13-8(11)19/h1-2H2,(H,12,16)(H,14,17)(H3,11,13,19)
InChIKey
FWRFHFRSMICJPX-UHFFFAOYSA-N
Compound name
[3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoylamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.00317 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.01045 160.9
[M+Na]+ 331.99239 170.6
[M-H]- 307.99589 160.9
[M+NH4]+ 327.03699 173.1
[M+K]+ 347.96633 165.5
[M+H-H2O]+ 292.00043 155.2
[M+HCOO]- 354.00137 174.3
[M+CH3COO]- 368.01702 204.6
[M+Na-2H]- 329.97784 162.9
[M]+ 309.00262 162.3
[M]- 309.00372 162.3
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.