CID 520127

7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H5ClN4
SMILES
CC1=NC2=NC=NN2C(=C1)Cl
InChI
InChI=1S/C6H5ClN4/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,1H3
InChIKey
NOIPEBKPGPZXNR-UHFFFAOYSA-N
Compound name
7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

92
Patents

168.02028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.027556 129.6
[M+Na]+ 191.009498 143.3
[M-H]- 167.013004 129.5
[M+NH4]+ 186.054103 148.8
[M+K]+ 206.983438 139.0
[M+H-H2O]+ 151.017540 121.7
[M+HCOO]- 213.018481 147.0
[M+CH3COO]- 227.034131 143.8
[M+Na-2H]- 188.994946 138.5
[M]+ 168.01973142 133.8
[M]- 168.02082858 133.8
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