CID 99311

15020-66-3

Structural Information

Molecular Formula
C11H10N4O2
SMILES
CC1=C(C(=O)NC(=O)N1)N=NC2=CC=CC=C2
InChI
InChI=1S/C11H10N4O2/c1-7-9(10(16)13-11(17)12-7)15-14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,16,17)
InChIKey
URAVGOKYTHIVBV-UHFFFAOYSA-N
Compound name
6-methyl-5-phenyldiazenyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.08037 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08765 147.9
[M+Na]+ 253.06959 157.7
[M-H]- 229.07309 153.0
[M+NH4]+ 248.11419 162.7
[M+K]+ 269.04353 153.2
[M+H-H2O]+ 213.07763 138.9
[M+HCOO]- 275.07857 173.6
[M+CH3COO]- 289.09422 193.0
[M+Na-2H]- 251.05504 156.3
[M]+ 230.07982 147.3
[M]- 230.08092 147.3
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.