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 165.0
[M+Na]+ 323.05730 175.0
[M-H]- 299.06080 171.7
[M+NH4]+ 318.10190 179.4
[M+K]+ 339.03124 170.0
[M+H-H2O]+ 283.06534 156.7
[M+HCOO]- 345.06628 184.4
[M+CH3COO]- 359.08193 176.9
[M+Na-2H]- 321.04275 165.9
[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.