CID 385870

Nsc677269

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=CC=C(C=C1)CNNC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C11H12N4O2/c16-10-6-9(13-11(17)14-10)15-12-7-8-4-2-1-3-5-8/h1-6,12H,7H2,(H3,13,14,15,16,17)
InChIKey
PYDBSZDGYZQQII-UHFFFAOYSA-N
Compound name
6-(2-benzylhydrazinyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 148.2
[M+Na]+ 255.08524 155.9
[M-H]- 231.08874 150.1
[M+NH4]+ 250.12984 161.2
[M+K]+ 271.05918 150.2
[M+H-H2O]+ 215.09328 139.5
[M+HCOO]- 277.09422 170.8
[M+CH3COO]- 291.10987 188.6
[M+Na-2H]- 253.07069 156.6
[M]+ 232.09547 144.4
[M]- 232.09657 144.4
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.