CID 37105

35285-73-5

Structural Information

Molecular Formula
C14H14N4O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H14N4O4S/c1-10(19)16-12-2-4-13(5-3-12)23(21,22)18-17-14(20)11-6-8-15-9-7-11/h2-9,18H,1H3,(H,16,19)(H,17,20)
InChIKey
ZOUFUQZACIWGGV-UHFFFAOYSA-N
Compound name
N-[4-[(pyridine-4-carbonylamino)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.07358 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08086 172.7
[M+Na]+ 357.06280 177.9
[M-H]- 333.06630 178.0
[M+NH4]+ 352.10740 183.7
[M+K]+ 373.03674 174.1
[M+H-H2O]+ 317.07084 163.7
[M+HCOO]- 379.07178 191.4
[M+CH3COO]- 393.08743 210.9
[M+Na-2H]- 355.04825 178.2
[M]+ 334.07303 173.4
[M]- 334.07413 173.4
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

No patent data available for this compound.