CID 511944

N-[4-[(5-methylsulfonyl-2-pyridyl)methyl]phenyl]acetamide

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
CC(=O)NC1=CC=C(C=C1)CC2=NC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C15H16N2O3S/c1-11(18)17-13-5-3-12(4-6-13)9-14-7-8-15(10-16-14)21(2,19)20/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKey
JYJASHMQFICLDV-UHFFFAOYSA-N
Compound name
N-[4-[(5-methylsulfonylpyridin-2-yl)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.08817 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09545 168.5
[M+Na]+ 327.07739 176.4
[M-H]- 303.08089 174.2
[M+NH4]+ 322.12199 182.2
[M+K]+ 343.05133 171.8
[M+H-H2O]+ 287.08543 160.4
[M+HCOO]- 349.08637 185.6
[M+CH3COO]- 363.10202 203.0
[M+Na-2H]- 325.06284 172.0
[M]+ 304.08762 171.5
[M]- 304.08872 171.5
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.