CID 385881

Nsc677281

Structural Information

Molecular Formula
C11H11ClN4O2
SMILES
CC1=C(C=C(C=C1)NNC2=CC(=O)NC(=O)N2)Cl
InChI
InChI=1S/C11H11ClN4O2/c1-6-2-3-7(4-8(6)12)15-16-9-5-10(17)14-11(18)13-9/h2-5,15H,1H3,(H3,13,14,16,17,18)
InChIKey
DKDCAVRCLKGGGD-UHFFFAOYSA-N
Compound name
6-[2-(3-chloro-4-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.05707 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06435 156.1
[M+Na]+ 289.04629 166.3
[M-H]- 265.04979 158.5
[M+NH4]+ 284.09089 169.2
[M+K]+ 305.02023 159.1
[M+H-H2O]+ 249.05433 148.5
[M+HCOO]- 311.05527 174.0
[M+CH3COO]- 325.07092 194.9
[M+Na-2H]- 287.03174 162.3
[M]+ 266.05652 155.2
[M]- 266.05762 155.2
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.