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]+ 301.075356 165.0
[M+Na]+ 323.057298 175.0
[M-H]- 299.060804 171.7
[M+NH4]+ 318.101903 179.4
[M+K]+ 339.031238 170.0
[M+H-H2O]+ 283.065340 156.7
[M+HCOO]- 345.066281 184.4
[M+CH3COO]- 359.081931 176.9
[M+Na-2H]- 321.042746 165.9
[M]+ 300.06753142 168.5
[M]- 300.06862858 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.