CID 3067711

81870-66-8

Structural Information

Molecular Formula
C16H17N3O5S
SMILES
COC1=CC=CC=C1C(=O)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C16H17N3O5S/c1-24-14-5-3-2-4-13(14)16(21)18-10-15(20)19-11-6-8-12(9-7-11)25(17,22)23/h2-9H,10H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKey
MZADKGZRSLWDTP-UHFFFAOYSA-N
Compound name
2-methoxy-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0889 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09618 180.8
[M+Na]+ 386.07812 185.6
[M-H]- 362.08162 186.7
[M+NH4]+ 381.12272 191.8
[M+K]+ 402.05206 182.1
[M+H-H2O]+ 346.08616 172.0
[M+HCOO]- 408.08710 199.5
[M+CH3COO]- 422.10275 217.3
[M+Na-2H]- 384.06357 183.7
[M]+ 363.08835 182.5
[M]- 363.08945 182.5
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.