CID 1891482

618414-59-8

Structural Information

Molecular Formula

C₁₈H₁₉N₅O₂S

SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=CC=CC=N3

InChI

InChI=1S/C18H19N5O2S/c1-3-23-17(14-9-6-7-11-19-14)21-22-18(23)26-12-16(24)20-13-8-4-5-10-15(13)25-2/h4-11H,3,12H2,1-2H3,(H,20,24)

InChIKey

YDPZORIGFCOTSD-UHFFFAOYSA-N

Compound name

2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 369.12595 Da
Monoisotopic Mass: 2.1
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]+	370.133226	185.7
[M+Na]+	392.115168	194.1
[M-H]-	368.118674	191.0
[M+NH4]+	387.159773	194.6
[M+K]+	408.089108	188.0
[M+H-H2O]+	352.123210	175.1
[M+HCOO]-	414.124151	201.4
[M+CH3COO]-	428.139801	195.1
[M+Na-2H]-	390.100616	186.2
[M]+	369.12540142	190.5
[M]-	369.12649858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.