CID 247695

6961-74-6

Structural Information

Molecular Formula
C10H7Cl2N5O2
SMILES
C1=CC(=C(C=C1NC2=NC(=O)NC(=C2N=O)N)Cl)Cl
InChI
InChI=1S/C10H7Cl2N5O2/c11-5-2-1-4(3-6(5)12)14-9-7(17-19)8(13)15-10(18)16-9/h1-3H,(H4,13,14,15,16,18)
InChIKey
ACZWXTVOAORTTK-UHFFFAOYSA-N
Compound name
6-amino-4-(3,4-dichloroanilino)-5-nitroso-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.99768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.00496 162.2
[M+Na]+ 321.98690 173.9
[M-H]- 297.99040 166.5
[M+NH4]+ 317.03150 175.4
[M+K]+ 337.96084 167.4
[M+H-H2O]+ 281.99494 154.8
[M+HCOO]- 343.99588 178.6
[M+CH3COO]- 358.01153 206.8
[M+Na-2H]- 319.97235 167.5
[M]+ 298.99713 164.5
[M]- 298.99823 164.5
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.