CID 4167044

4-(2-thienylmethyleneamino)salicylic acid

Structural Information

Molecular Formula

C₁₂H₉NO₃S

SMILES

C1=CSC(=C1)C=NC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C12H9NO3S/c14-11-6-8(3-4-10(11)12(15)16)13-7-9-2-1-5-17-9/h1-7,14H,(H,15,16)

InChIKey

IRKDYMSWCNSRHN-UHFFFAOYSA-N

Compound name

2-hydroxy-4-(thiophen-2-ylmethylideneamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.03032 Da
Monoisotopic Mass: 3.0
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]+	248.037596	152.9
[M+Na]+	270.019538	161.3
[M-H]-	246.023044	159.2
[M+NH4]+	265.064143	171.5
[M+K]+	285.993478	157.1
[M+H-H2O]+	230.027580	146.7
[M+HCOO]-	292.028521	173.1
[M+CH3COO]-	306.044171	189.0
[M+Na-2H]-	268.004986	154.2
[M]+	247.02977142	154.9
[M]-	247.03086858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe