CID 6865762

303106-95-8

Structural Information

Molecular Formula

C₁₇H₁₅ClN₄O₂S

SMILES

CCOC1=CC=CC=C1/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-2-24-14-6-4-3-5-11(14)10-19-22-17(23)13-9-12(20-21-13)15-7-8-16(18)25-15/h3-10H,2H2,1H3,(H,20,21)(H,22,23)/b19-10+

InChIKey

FCMHMYYECUOPPR-VXLYETTFSA-N

Compound name

5-(5-chlorothiophen-2-yl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.06042 Da
Monoisotopic Mass: 4.1
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]+	375.067696	186.2
[M+Na]+	397.049638	196.0
[M-H]-	373.053144	195.2
[M+NH4]+	392.094243	200.3
[M+K]+	413.023578	189.2
[M+H-H2O]+	357.057680	177.9
[M+HCOO]-	419.058621	203.7
[M+CH3COO]-	433.074271	197.3
[M+Na-2H]-	395.035086	185.6
[M]+	374.05987142	192.9
[M]-	374.06096858	192.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.