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[3,2-d]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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	382.077526	190.6
[M+Na]+	404.059468	203.2
[M-H]-	380.062974	200.9
[M+NH4]+	399.104073	206.4
[M+K]+	420.033408	195.5
[M+H-H2O]+	364.067510	183.2
[M+HCOO]-	426.068451	205.5
[M+CH3COO]-	440.084101	202.4
[M+Na-2H]-	402.044916	189.0
[M]+	381.06970142	198.4
[M]-	381.07079858	198.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.