CID 21948548

Pyrazolo[1,5-a][1,3,5]triazine

Structural Information

Molecular Formula
C5H4N4
SMILES
C1=C2N=CN=CN2N=C1
InChI
InChI=1S/C5H4N4/c1-2-8-9-4-6-3-7-5(1)9/h1-4H
InChIKey
JUXWUYWPUDKPSD-UHFFFAOYSA-N
Compound name
pyrazolo[1,5-a][1,3,5]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1225
Patents

120.043594 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.05087 118.4
[M+Na]+ 143.03281 130.2
[M-H]- 119.03632 118.3
[M+NH4]+ 138.07742 138.3
[M+K]+ 159.00675 128.0
[M+H-H2O]+ 103.04085 110.2
[M+HCOO]- 165.04180 141.1
[M+CH3COO]- 179.05744 133.0
[M+Na-2H]- 141.01826 130.2
[M]+ 120.04305 120.0
[M]- 120.04414 120.0
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