CID 3058316

75007-31-7

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
CC1=CC(=NN1C2=NC(=CS2)C3=CC(=C(C=C3)O)O)C
InChI
InChI=1S/C14H13N3O2S/c1-8-5-9(2)17(16-8)14-15-11(7-20-14)10-3-4-12(18)13(19)6-10/h3-7,18-19H,1-2H3
InChIKey
KWBGYGKODFZVHT-UHFFFAOYSA-N
Compound name
4-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07285 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 165.2
[M+Na]+ 310.06207 179.6
[M+NH4]+ 305.10667 172.4
[M+K]+ 326.03601 175.2
[M-H]- 286.06557 168.6
[M+Na-2H]- 308.04752 172.5
[M]+ 287.07230 168.6
[M]- 287.07340 168.6
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.