CID 494565

92851-65-5

Structural Information

Molecular Formula
C15H15NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(19,20)16-14(15(17)18)12-5-3-2-4-6-12/h2-10,14,16H,1H3,(H,17,18)
InChIKey
LIZVXGBYTGTTTI-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3060
Patents

305.07217 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07945 167.0
[M+Na]+ 328.06139 172.9
[M-H]- 304.06489 172.3
[M+NH4]+ 323.10599 180.7
[M+K]+ 344.03533 168.9
[M+H-H2O]+ 288.06943 159.7
[M+HCOO]- 350.07037 183.1
[M+CH3COO]- 364.08602 200.4
[M+Na-2H]- 326.04684 170.0
[M]+ 305.07162 168.3
[M]- 305.07272 168.3
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

No patent data available for this compound.