CID 500047

Nsc626938

Structural Information

Molecular Formula
C18H15NO4S
SMILES
C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)
InChIKey
UDTRIHNSADWKRA-UHFFFAOYSA-N
Compound name
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.07217 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07945 174.9
[M+Na]+ 364.06139 180.7
[M-H]- 340.06489 180.7
[M+NH4]+ 359.10599 187.8
[M+K]+ 380.03533 176.0
[M+H-H2O]+ 324.06943 167.4
[M+HCOO]- 386.07037 189.8
[M+CH3COO]- 400.08602 207.3
[M+Na-2H]- 362.04684 180.3
[M]+ 341.07162 176.2
[M]- 341.07272 176.2
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

No patent data available for this compound.