CID 1202956

N-(3-chloro-2-methylphenyl)-3-methyl-1-phenyl-1h-thieno[2,3-c]pyrazole-5-carboxamide

Structural Information

Molecular Formula
C20H16ClN3OS
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4
InChI
InChI=1S/C20H16ClN3OS/c1-12-16(21)9-6-10-17(12)22-19(25)18-11-15-13(2)23-24(20(15)26-18)14-7-4-3-5-8-14/h3-11H,1-2H3,(H,22,25)
InChIKey
WSZXOFLHXQPQDX-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.07025 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.07753 188.5
[M+Na]+ 404.05947 204.7
[M+NH4]+ 399.10407 197.5
[M+K]+ 420.03341 197.1
[M-H]- 380.06297 195.0
[M+Na-2H]- 402.04492 197.3
[M]+ 381.06970 193.6
[M]- 381.07080 193.6
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.