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]+ 196.03845 138.2
[M+Na]+ 218.02039 150.2
[M-H]- 194.02389 138.6
[M+NH4]+ 213.06499 153.3
[M+K]+ 233.99433 145.7
[M+H-H2O]+ 178.02843 128.2
[M+HCOO]- 240.02937 153.8
[M+CH3COO]- 254.04502 150.9
[M+Na-2H]- 216.00584 144.8
[M]+ 195.03062 140.3
[M]- 195.03172 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.