CID 11502183

Schembl612794

Structural Information

Molecular Formula
C19H27ClN2O3S
SMILES
CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3
InChI
InChI=1S/C19H27ClN2O3S/c1-14-17(20)10-5-11-18(14)26(24,25)22-12-6-7-15(13-22)19(23)21-16-8-3-2-4-9-16/h5,10-11,15-16H,2-4,6-9,12-13H2,1H3,(H,21,23)
InChIKey
ODRPEKCTTLECBX-UHFFFAOYSA-N
Compound name
1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

398.1431 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15038 191.6
[M+Na]+ 421.13232 194.4
[M-H]- 397.13582 198.0
[M+NH4]+ 416.17692 201.6
[M+K]+ 437.10626 188.7
[M+H-H2O]+ 381.14036 183.4
[M+HCOO]- 443.14130 195.8
[M+CH3COO]- 457.15695 218.1
[M+Na-2H]- 419.11777 189.7
[M]+ 398.14255 187.9
[M]- 398.14365 187.9
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

patents stripe