CID 6864978

302917-88-0

Structural Information

Molecular Formula

C₁₇H₁₆N₄O₂S

SMILES

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

InChI

InChI=1S/C17H16N4O2S/c1-2-23-16-8-4-3-7-13(16)14-10-15(20-19-14)17(22)21-18-11-12-6-5-9-24-12/h3-11H,2H2,1H3,(H,19,20)(H,21,22)/b18-11+

InChIKey

LVUMBJTWDUIZTD-WOJGMQOQSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.0994 Da
Monoisotopic Mass: 3.5
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]+	341.106676	177.4
[M+Na]+	363.088618	185.9
[M-H]-	339.092124	186.2
[M+NH4]+	358.133223	191.8
[M+K]+	379.062558	180.5
[M+H-H2O]+	323.096660	168.6
[M+HCOO]-	385.097601	199.7
[M+CH3COO]-	399.113251	188.8
[M+Na-2H]-	361.074066	178.2
[M]+	340.09885142	181.8
[M]-	340.09994858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.