CID 135400927

90767-72-9

Structural Information

Molecular Formula
C10H8Cl2N4O
SMILES
C1=CC(=C(C=C1NC2=CC(=O)NC(=N2)N)Cl)Cl
InChI
InChI=1S/C10H8Cl2N4O/c11-6-2-1-5(3-7(6)12)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
InChIKey
SQFJVHBOGMKABU-UHFFFAOYSA-N
Compound name
2-amino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

270.0075 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01478 155.2
[M+Na]+ 292.99672 166.3
[M-H]- 269.00022 157.6
[M+NH4]+ 288.04132 169.1
[M+K]+ 308.97066 158.8
[M+H-H2O]+ 253.00476 148.3
[M+HCOO]- 315.00570 168.7
[M+CH3COO]- 329.02135 166.6
[M+Na-2H]- 290.98217 160.4
[M]+ 270.00695 155.2
[M]- 270.00805 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.