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

14
Patents

192.1011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 143.5
[M+Na]+ 215.09032 155.6
[M-H]- 191.09382 142.7
[M+NH4]+ 210.13492 160.6
[M+K]+ 231.06426 151.6
[M+H-H2O]+ 175.09836 136.1
[M+HCOO]- 237.09930 162.0
[M+CH3COO]- 251.11495 180.3
[M+Na-2H]- 213.07577 151.6
[M]+ 192.10055 145.5
[M]- 192.10165 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