CID 22193709

N-(2-methoxyphenyl)-n-[(4-methylphenyl)sulfonyl]glycine

Structural Information

Molecular Formula
C16H17NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2OC
InChI
InChI=1S/C16H17NO5S/c1-12-7-9-13(10-8-12)23(20,21)17(11-16(18)19)14-5-3-4-6-15(14)22-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKey
SMXMNTDYRZRWTM-UHFFFAOYSA-N
Compound name
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.08273 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09001 173.9
[M+Na]+ 358.07195 184.8
[M+NH4]+ 353.11655 179.7
[M+K]+ 374.04589 178.7
[M-H]- 334.07545 176.1
[M+Na-2H]- 356.05740 180.6
[M]+ 335.08218 176.4
[M]- 335.08328 176.4
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