CID 3076201

Brn 4756798

Structural Information

Molecular Formula
C14H12N4OS
SMILES
CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=NC=CS3
InChI
InChI=1S/C14H12N4OS/c1-9-2-4-10(5-3-9)11-8-12(18-17-11)13(19)16-14-15-6-7-20-14/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKey
YVKHXBLYUWHHLM-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07318 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08046 162.1
[M+Na]+ 307.06240 172.4
[M-H]- 283.06590 168.8
[M+NH4]+ 302.10700 177.3
[M+K]+ 323.03634 166.8
[M+H-H2O]+ 267.07044 153.9
[M+HCOO]- 329.07138 181.3
[M+CH3COO]- 343.08703 174.2
[M+Na-2H]- 305.04785 162.8
[M]+ 284.07263 164.3
[M]- 284.07373 164.3
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.