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

literature stripe

Patent stripe

patents stripe