CID 720106

297178-86-0

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2
InChI
InChI=1S/C14H15N3O3S/c1-11(18)17-13-2-4-14(5-3-13)21(19,20)16-10-12-6-8-15-9-7-12/h2-9,16H,10H2,1H3,(H,17,18)
InChIKey
ZUXLEAHODLVWQV-UHFFFAOYSA-N
Compound name
N-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

305.0834 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09068 167.5
[M+Na]+ 328.07262 174.0
[M-H]- 304.07612 172.8
[M+NH4]+ 323.11722 180.4
[M+K]+ 344.04656 169.5
[M+H-H2O]+ 288.08066 158.9
[M+HCOO]- 350.08160 185.9
[M+CH3COO]- 364.09725 203.9
[M+Na-2H]- 326.05807 172.9
[M]+ 305.08285 168.9
[M]- 305.08395 168.9
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

No patent data available for this compound.