CID 9630783

303104-09-8

Structural Information

Molecular Formula

C₁₈H₁₈N₄O₂S

SMILES

CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=CS3

InChI

InChI=1S/C18H18N4O2S/c1-3-24-16-8-5-4-7-13(16)14-11-15(21-20-14)18(23)22-19-12(2)17-9-6-10-25-17/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/b19-12+

InChIKey

GILWIKFECQHAMS-XDHOZWIPSA-N

Compound name

3-(2-ethoxyphenyl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.11505 Da
Monoisotopic Mass: 3.7
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]+	355.122326	182.6
[M+Na]+	377.104268	190.1
[M-H]-	353.107774	191.3
[M+NH4]+	372.148873	196.3
[M+K]+	393.078208	185.2
[M+H-H2O]+	337.112310	173.7
[M+HCOO]-	399.113251	203.4
[M+CH3COO]-	413.128901	213.5
[M+Na-2H]-	375.089716	181.9
[M]+	354.11450142	186.7
[M]-	354.11559858	186.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.