CID 385873

Nsc677273

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CCC1=CC=CC=C1NNC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C12H14N4O2/c1-2-8-5-3-4-6-9(8)15-16-10-7-11(17)14-12(18)13-10/h3-7,15H,2H2,1H3,(H3,13,14,16,17,18)
InChIKey
ADUYEKOFCWDXPB-UHFFFAOYSA-N
Compound name
6-[2-(2-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.11168 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 153.6
[M+Na]+ 269.10090 161.7
[M-H]- 245.10440 155.7
[M+NH4]+ 264.14550 166.3
[M+K]+ 285.07484 155.8
[M+H-H2O]+ 229.10894 144.9
[M+HCOO]- 291.10988 175.8
[M+CH3COO]- 305.12553 192.9
[M+Na-2H]- 267.08635 160.6
[M]+ 246.11113 150.5
[M]- 246.11223 150.5
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.