CID 11559601

2-methoxy-n-{4-[(methylcarbamoyl)amino]benzene-1-sulfonyl}benzamide

Structural Information

Molecular Formula
C16H17N3O5S
SMILES
CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C16H17N3O5S/c1-17-16(21)18-11-7-9-12(10-8-11)25(22,23)19-15(20)13-5-3-4-6-14(13)24-2/h3-10H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKey
JCHMGYRXQDASJE-UHFFFAOYSA-N
Compound name
2-methoxy-N-[4-(methylcarbamoylamino)phenyl]sulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6877
Patents

363.0889 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09618 180.8
[M+Na]+ 386.07812 185.7
[M-H]- 362.08162 187.3
[M+NH4]+ 381.12272 192.2
[M+K]+ 402.05206 182.5
[M+H-H2O]+ 346.08616 172.1
[M+HCOO]- 408.08710 200.2
[M+CH3COO]- 422.10275 217.1
[M+Na-2H]- 384.06357 184.7
[M]+ 363.08835 183.4
[M]- 363.08945 183.4
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