CID 362700

Nsc626939

Structural Information

Molecular Formula
C16H16N2O6S
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C16H16N2O6S/c1-24-13-6-2-11(3-7-13)16(21)18-12-4-8-14(9-5-12)25(22,23)17-10-15(19)20/h2-9,17H,10H2,1H3,(H,18,21)(H,19,20)
InChIKey
PMAQPUYCCGEXKQ-UHFFFAOYSA-N
Compound name
2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

364.0729 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08018 179.6
[M+Na]+ 387.06212 184.5
[M-H]- 363.06562 184.7
[M+NH4]+ 382.10672 190.3
[M+K]+ 403.03606 181.2
[M+H-H2O]+ 347.07016 171.3
[M+HCOO]- 409.07110 196.8
[M+CH3COO]- 423.08675 213.1
[M+Na-2H]- 385.04757 182.7
[M]+ 364.07235 182.7
[M]- 364.07345 182.7
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