CID 135403411

3054-70-4

Structural Information

Molecular Formula
C10H10N6O
SMILES
C1=CC=C(C=C1)N=NC2=C(N=C(NC2=O)N)N
InChI
InChI=1S/C10H10N6O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,17)
InChIKey
MUDXKPHUGKQTPE-UHFFFAOYSA-N
Compound name
2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

230.09161 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09889 148.0
[M+Na]+ 253.08083 156.9
[M-H]- 229.08433 153.7
[M+NH4]+ 248.12543 162.4
[M+K]+ 269.05477 152.8
[M+H-H2O]+ 213.08887 138.5
[M+HCOO]- 275.08981 176.0
[M+CH3COO]- 289.10546 200.4
[M+Na-2H]- 251.06628 156.4
[M]+ 230.09106 145.0
[M]- 230.09216 145.0
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

patents stripe