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 152.9
[M+Na]+ 270.01954 161.3
[M-H]- 246.02304 159.2
[M+NH4]+ 265.06414 171.5
[M+K]+ 285.99348 157.1
[M+H-H2O]+ 230.02758 146.7
[M+HCOO]- 292.02852 173.1
[M+CH3COO]- 306.04417 189.0
[M+Na-2H]- 268.00499 154.2
[M]+ 247.02977 154.9
[M]- 247.03087 154.9
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

patents stripe