CID 72211741

4-chloro-7-methylpyrazolo[1,5-a][1,3,5]triazine

Structural Information

Molecular Formula
C6H5ClN4
SMILES
CC1=NN2C(=C1)N=CN=C2Cl
InChI
InChI=1S/C6H5ClN4/c1-4-2-5-8-3-9-6(7)11(5)10-4/h2-3H,1H3
InChIKey
NGNMWSZUKPXHRU-UHFFFAOYSA-N
Compound name
4-chloro-7-methylpyrazolo[1,5-a][1,3,5]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.