CID 62343269

2-chloro-4-(2-methyl-1h-imidazol-1-yl)pyrimidine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
CC1=NC=CN1C2=NC(=NC=C2)Cl
InChI
InChI=1S/C8H7ClN4/c1-6-10-4-5-13(6)7-2-3-11-8(9)12-7/h2-5H,1H3
InChIKey
RQZNRBYJIXWZKG-UHFFFAOYSA-N
Compound name
2-chloro-4-(2-methylimidazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

194.03592 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 138.1
[M+Na]+ 217.02514 149.8
[M-H]- 193.02864 139.8
[M+NH4]+ 212.06974 154.8
[M+K]+ 232.99908 145.2
[M+H-H2O]+ 177.03318 128.8
[M+HCOO]- 239.03412 154.9
[M+CH3COO]- 253.04977 151.2
[M+Na-2H]- 215.01059 144.4
[M]+ 194.03537 140.2
[M]- 194.03647 140.2
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

patents stripe