CID 9533910

879319-13-8

Structural Information

Molecular Formula
C15H21ClN2O4S
SMILES
CCOC1=C(C=C(C=C1)NC(=O)CCl)S(=O)(=O)N2CCCCC2
InChI
InChI=1S/C15H21ClN2O4S/c1-2-22-13-7-6-12(17-15(19)11-16)10-14(13)23(20,21)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKey
WFCFRNORLBBCCG-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.09106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09834 179.3
[M+Na]+ 383.08028 184.4
[M-H]- 359.08378 183.8
[M+NH4]+ 378.12488 191.3
[M+K]+ 399.05422 179.8
[M+H-H2O]+ 343.08832 172.1
[M+HCOO]- 405.08926 188.0
[M+CH3COO]- 419.10491 209.9
[M+Na-2H]- 381.06573 180.3
[M]+ 360.09051 181.8
[M]- 360.09161 181.8
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.