CID 24873741

Jcc76

Structural Information

Molecular Formula
C24H32N2O4S
SMILES
CC1=CC(=C(C=C1)C)COC2=C(C=CC(=C2)NC(=O)C3CCCCC3)N(C)S(=O)(=O)C
InChI
InChI=1S/C24H32N2O4S/c1-17-10-11-18(2)20(14-17)16-30-23-15-21(12-13-22(23)26(3)31(4,28)29)25-24(27)19-8-6-5-7-9-19/h10-15,19H,5-9,16H2,1-4H3,(H,25,27)
InChIKey
NLBGXSHIKISRHR-UHFFFAOYSA-N
Compound name
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

444.20828 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.21556 204.7
[M+Na]+ 467.19750 214.5
[M+NH4]+ 462.24210 210.6
[M+K]+ 483.17144 206.9
[M-H]- 443.20100 210.1
[M+Na-2H]- 465.18295 211.6
[M]+ 444.20773 208.0
[M]- 444.20883 208.0
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.