CID 10932261

N-(4,6-dichloropyrimidin-5-yl)formamide

Structural Information

Molecular Formula
C5H3Cl2N3O
SMILES
C1=NC(=C(C(=N1)Cl)NC=O)Cl
InChI
InChI=1S/C5H3Cl2N3O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)
InChIKey
INAVTYBULIFSLK-UHFFFAOYSA-N
Compound name
N-(4,6-dichloropyrimidin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

190.96532 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97260 131.8
[M+Na]+ 213.95454 143.0
[M-H]- 189.95804 132.5
[M+NH4]+ 208.99914 149.9
[M+K]+ 229.92848 138.5
[M+H-H2O]+ 173.96258 126.1
[M+HCOO]- 235.96352 146.5
[M+CH3COO]- 249.97917 181.5
[M+Na-2H]- 211.93999 139.7
[M]+ 190.96477 134.6
[M]- 190.96587 134.6
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