CID 458899

2-anilino-5-benzamidobenzenesulfonic acid, sodium salt

Structural Information

Molecular Formula
C19H16N2O4S
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC3=CC=CC=C3)S(=O)(=O)O
InChI
InChI=1S/C19H16N2O4S/c22-19(14-7-3-1-4-8-14)21-16-11-12-17(18(13-16)26(23,24)25)20-15-9-5-2-6-10-15/h1-13,20H,(H,21,22)(H,23,24,25)
InChIKey
FISWIMVRFKPWRG-UHFFFAOYSA-N
Compound name
2-anilino-5-benzamidobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.08307 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09035 182.6
[M+Na]+ 391.07229 188.4
[M-H]- 367.07579 190.9
[M+NH4]+ 386.11689 193.1
[M+K]+ 407.04623 182.7
[M+H-H2O]+ 351.08033 173.7
[M+HCOO]- 413.08127 200.8
[M+CH3COO]- 427.09692 213.6
[M+Na-2H]- 389.05774 187.6
[M]+ 368.08252 182.8
[M]- 368.08362 182.8
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.