CID 62481343

4-chloro-2-methyl-6-(1h-1,2,4-triazol-1-yl)pyrimidine

Structural Information

Molecular Formula
C7H6ClN5
SMILES
CC1=NC(=CC(=N1)Cl)N2C=NC=N2
InChI
InChI=1S/C7H6ClN5/c1-5-11-6(8)2-7(12-5)13-4-9-3-10-13/h2-4H,1H3
InChIKey
QOJIMLYEYPEBMA-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-6-(1,2,4-triazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.03117 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.038446 138.2
[M+Na]+ 218.020388 150.2
[M-H]- 194.023894 138.6
[M+NH4]+ 213.064993 153.3
[M+K]+ 233.994328 145.7
[M+H-H2O]+ 178.028430 128.2
[M+HCOO]- 240.029371 153.8
[M+CH3COO]- 254.045021 150.9
[M+Na-2H]- 216.005836 144.8
[M]+ 195.03062142 140.3
[M]- 195.03171858 140.3
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.