CID 83295957

1517761-42-0

Structural Information

Molecular Formula
C9H10N4O2S
SMILES
CC(C)C1=C(SC(=N1)C2=NC=NN2)C(=O)O
InChI
InChI=1S/C9H10N4O2S/c1-4(2)5-6(9(14)15)16-8(12-5)7-10-3-11-13-7/h3-4H,1-2H3,(H,14,15)(H,10,11,13)
InChIKey
FOAKFMKLDXUQJD-UHFFFAOYSA-N
Compound name
4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05244 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05972 151.2
[M+Na]+ 261.04166 161.6
[M+NH4]+ 256.08626 156.7
[M+K]+ 277.01560 160.1
[M-H]- 237.04516 150.2
[M+Na-2H]- 259.02711 155.2
[M]+ 238.05189 152.5
[M]- 238.05299 152.5
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.