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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03760 153.8
[M+Na]+ 270.01954 164.7
[M+NH4]+ 265.06414 161.5
[M+K]+ 285.99348 159.0
[M-H]- 246.02304 156.8
[M+Na-2H]- 268.00499 160.0
[M]+ 247.02977 156.4
[M]- 247.03087 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.