CID 385879

Nsc677279

Structural Information

Molecular Formula
C10H9ClN4O2
SMILES
C1=CC(=CC(=C1)Cl)NNC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C10H9ClN4O2/c11-6-2-1-3-7(4-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)
InChIKey
JLJOTKKXGSPXNR-UHFFFAOYSA-N
Compound name
6-[2-(3-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.0414 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04868 150.7
[M+Na]+ 275.03062 160.4
[M-H]- 251.03412 152.9
[M+NH4]+ 270.07522 164.1
[M+K]+ 291.00456 153.4
[M+H-H2O]+ 235.03866 143.1
[M+HCOO]- 297.03960 169.0
[M+CH3COO]- 311.05525 190.6
[M+Na-2H]- 273.01607 158.3
[M]+ 252.04085 149.1
[M]- 252.04195 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.