CID 135741970

7-(tert-butyl)pyrazolo[1,5-a][1,3,5]triazin-4(3h)-one

Structural Information

Molecular Formula
C9H12N4O
SMILES
CC(C)(C)C1=NN2C(=C1)N=CNC2=O
InChI
InChI=1S/C9H12N4O/c1-9(2,3)6-4-7-10-5-11-8(14)13(7)12-6/h4-5H,1-3H3,(H,10,11,14)
InChIKey
TWIRTOOIBISMKQ-UHFFFAOYSA-N
Compound name
7-tert-butyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

192.1011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.108376 143.5
[M+Na]+ 215.090318 155.6
[M-H]- 191.093824 142.7
[M+NH4]+ 210.134923 160.6
[M+K]+ 231.064258 151.6
[M+H-H2O]+ 175.098360 136.1
[M+HCOO]- 237.099301 162.0
[M+CH3COO]- 251.114951 180.3
[M+Na-2H]- 213.075766 151.6
[M]+ 192.10055142 145.5
[M]- 192.10164858 145.5
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

patents stripe