CID 135429943

78267-15-9

Structural Information

Molecular Formula

C₁₃H₁₃NO₃S

SMILES

CCOC(=O)C1=C(CSC1=NC2=CC=CC=C2)O

InChI

InChI=1S/C13H13NO3S/c1-2-17-13(16)11-10(15)8-18-12(11)14-9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3

InChIKey

PJMOPMXQAVHCTP-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxy-5-phenylimino-2H-thiophene-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 14
Patents: 263.0616 Da
Monoisotopic Mass: 2.9
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]+	264.06888	159.2
[M+Na]+	286.05082	169.5
[M+NH4]+	281.09542	167.0
[M+K]+	302.02476	163.4
[M-H]-	262.05432	162.5
[M+Na-2H]-	284.03627	164.9
[M]+	263.06105	161.8
[M]-	263.06215	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe