CID 135547214

303104-15-6

Structural Information

Molecular Formula

C₁₈H₁₈N₄O₃S

SMILES

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C18H18N4O3S/c1-10-4-7-17(26-10)13-9-14(21-20-13)18(24)22-19-11(2)12-5-6-15(23)16(8-12)25-3/h4-9,23H,1-3H3,(H,20,21)(H,22,24)/b19-11+

InChIKey

UWTMKPVYBOAKQJ-YBFXNURJSA-N

Compound name

N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.10995 Da
Monoisotopic Mass: 3.1
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]+	371.117226	186.0
[M+Na]+	393.099168	194.3
[M-H]-	369.102674	194.1
[M+NH4]+	388.143773	198.7
[M+K]+	409.073108	189.3
[M+H-H2O]+	353.107210	177.8
[M+HCOO]-	415.108151	205.4
[M+CH3COO]-	429.123801	215.9
[M+Na-2H]-	391.084616	183.8
[M]+	370.10940142	190.4
[M]-	370.11049858	190.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.