CID 172726

71077-34-4

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)N
InChI
InChI=1S/C14H14N2O4S/c1-9-2-3-10(8-13(9)15)14(17)16-11-4-6-12(7-5-11)21(18,19)20/h2-8H,15H2,1H3,(H,16,17)(H,18,19,20)
InChIKey
JIPDTRLJBRHTRV-UHFFFAOYSA-N
Compound name
4-[(3-amino-4-methylbenzoyl)amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

79
Patents

306.0674 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 167.4
[M+Na]+ 329.05662 177.8
[M+NH4]+ 324.10122 173.2
[M+K]+ 345.03056 171.9
[M-H]- 305.06012 169.9
[M+Na-2H]- 327.04207 173.6
[M]+ 306.06685 169.8
[M]- 306.06795 169.8
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

patents stripe