CID 101425

Nicotinic acid, 2-(((p-acetamido)phenyl)sulfonyl)hydrazide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.07358 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.080856 172.7
[M+Na]+ 357.062798 177.9
[M-H]- 333.066304 178.0
[M+NH4]+ 352.107403 183.7
[M+K]+ 373.036738 174.1
[M+H-H2O]+ 317.070840 163.7
[M+HCOO]- 379.071781 191.4
[M+CH3COO]- 393.087431 210.9
[M+Na-2H]- 355.048246 178.2
[M]+ 334.07303142 173.4
[M]- 334.07412858 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.