CID 459687

8-acetamido-6-methylsulfonylquinoline

Structural Information

Molecular Formula
C12H12N2O3S
SMILES
CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)C)C=CC=N2
InChI
InChI=1S/C12H12N2O3S/c1-8(15)14-11-7-10(18(2,16)17)6-9-4-3-5-13-12(9)11/h3-7H,1-2H3,(H,14,15)
InChIKey
MVOOMTNMMGVIEN-UHFFFAOYSA-N
Compound name
N-(6-methylsulfonylquinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.05685 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06413 155.6
[M+Na]+ 287.04607 164.8
[M-H]- 263.04957 159.3
[M+NH4]+ 282.09067 172.3
[M+K]+ 303.02001 161.0
[M+H-H2O]+ 247.05411 149.0
[M+HCOO]- 309.05505 172.1
[M+CH3COO]- 323.07070 195.7
[M+Na-2H]- 285.03152 161.6
[M]+ 264.05630 159.1
[M]- 264.05740 159.1
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.