CID 71668441

4,6-dichloro-n-methoxy-n-methylpyrimidine-5-carboxamide

Structural Information

Molecular Formula
C7H7Cl2N3O2
SMILES
CN(C(=O)C1=C(N=CN=C1Cl)Cl)OC
InChI
InChI=1S/C7H7Cl2N3O2/c1-12(14-2)7(13)4-5(8)10-3-11-6(4)9/h3H,1-2H3
InChIKey
RLGHWFQLNMTSKO-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-methoxy-N-methylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.99153 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.99881 142.0
[M+Na]+ 257.98075 152.4
[M-H]- 233.98425 144.3
[M+NH4]+ 253.02535 159.1
[M+K]+ 273.95469 149.7
[M+H-H2O]+ 217.98879 135.9
[M+HCOO]- 279.98973 156.1
[M+CH3COO]- 294.00538 193.0
[M+Na-2H]- 255.96620 147.3
[M]+ 234.99098 147.8
[M]- 234.99208 147.8
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.