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 205.9
[M+Na]+ 467.19750 208.4
[M-H]- 443.20100 215.4
[M+NH4]+ 462.24210 214.8
[M+K]+ 483.17144 204.9
[M+H-H2O]+ 427.20554 196.0
[M+HCOO]- 489.20648 219.9
[M+CH3COO]- 503.22213 237.2
[M+Na-2H]- 465.18295 204.3
[M]+ 444.20773 207.5
[M]- 444.20883 207.5
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.