CID 5273995

8-isopropyl-6-methyl-2-sulfanyl-3h-imidazo[1,5-a][1,3,5]triazin-4-one

Structural Information

Molecular Formula
C9H12N4OS
SMILES
CC1=NC(=C2N1C(=O)NC(=S)N2)C(C)C
InChI
InChI=1S/C9H12N4OS/c1-4(2)6-7-11-8(15)12-9(14)13(7)5(3)10-6/h4H,1-3H3,(H2,11,12,14,15)
InChIKey
FKAQHUIJNVIVDP-UHFFFAOYSA-N
Compound name
6-methyl-8-propan-2-yl-2-sulfanylidene-1H-imidazo[1,5-a][1,3,5]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07318 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08046 147.8
[M+Na]+ 247.06240 161.3
[M-H]- 223.06590 146.4
[M+NH4]+ 242.10700 164.0
[M+K]+ 263.03634 155.1
[M+H-H2O]+ 207.07044 141.7
[M+HCOO]- 269.07138 160.7
[M+CH3COO]- 283.08703 160.0
[M+Na-2H]- 245.04785 149.0
[M]+ 224.07263 150.5
[M]- 224.07373 150.5
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

No patent data available for this compound.