CID 720105

N-(4-{[(pyridin-2-ylmethyl)amino]sulfonyl}phenyl)acetamide

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2
InChI
InChI=1S/C14H15N3O3S/c1-11(18)17-12-5-7-14(8-6-12)21(19,20)16-10-13-4-2-3-9-15-13/h2-9,16H,10H2,1H3,(H,17,18)
InChIKey
YJCSMGXTSYXQOG-UHFFFAOYSA-N
Compound name
N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
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]+ 306.090676 167.5
[M+Na]+ 328.072618 174.0
[M-H]- 304.076124 172.8
[M+NH4]+ 323.117223 180.4
[M+K]+ 344.046558 169.5
[M+H-H2O]+ 288.080660 158.9
[M+HCOO]- 350.081601 185.9
[M+CH3COO]- 364.097251 203.9
[M+Na-2H]- 326.058066 172.9
[M]+ 305.08285142 168.9
[M]- 305.08394858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.