CID 5445606

303107-75-7

Structural Information

Molecular Formula

C₁₉H₂₀N₄O₃S

SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-11-5-8-18(27-11)14-10-15(22-21-14)19(24)23-20-12(2)13-6-7-16(25-3)17(9-13)26-4/h5-10H,1-4H3,(H,21,22)(H,23,24)/b20-12+

InChIKey

NWCRHCHMUBHHPO-UDWIEESQSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 384.1256 Da
Monoisotopic Mass: 3.4
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]+	385.132876	190.7
[M+Na]+	407.114818	199.0
[M-H]-	383.118324	199.9
[M+NH4]+	402.159423	203.5
[M+K]+	423.088758	194.5
[M+H-H2O]+	367.122860	182.0
[M+HCOO]-	429.123801	211.2
[M+CH3COO]-	443.139451	221.0
[M+Na-2H]-	405.100266	188.3
[M]+	384.12505142	197.2
[M]-	384.12614858	197.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.