CID 3076202

Brn 4761161

Structural Information

Molecular Formula
C14H12N4O2S
SMILES
COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=NC=CS3
InChI
InChI=1S/C14H12N4O2S/c1-20-10-4-2-9(3-5-10)11-8-12(18-17-11)13(19)16-14-15-6-7-21-14/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKey
CLKLUNYELBYANB-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07536 165.5
[M+Na]+ 323.05730 177.7
[M+NH4]+ 318.10190 172.2
[M+K]+ 339.03124 173.8
[M-H]- 299.06080 169.0
[M+Na-2H]- 321.04275 173.7
[M]+ 300.06753 168.5
[M]- 300.06863 168.5
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.