CID 257721

39883-83-5

Structural Information

Molecular Formula
C15H12N2O2S2
SMILES
C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H12N2O2S2/c18-14(19)10-5-7-11(8-6-10)16-9-17-12-3-1-2-4-13(12)21-15(17)20/h1-8,16H,9H2,(H,18,19)
InChIKey
DKDLNTQSYSQOAY-UHFFFAOYSA-N
Compound name
4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.03403 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.04131 166.3
[M+Na]+ 339.02325 179.4
[M+NH4]+ 334.06785 174.8
[M+K]+ 354.99719 170.3
[M-H]- 315.02675 170.5
[M+Na-2H]- 337.00870 173.3
[M]+ 316.03348 170.3
[M]- 316.03458 170.3
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