CID 11015169

Unii-umh468285u

Structural Information

Molecular Formula
C24H31NO3S
SMILES
CC1=CC(=CC(=C1)N([C@H]2[C@H]3CC[C@@]([C@H]2O)(C3(C)C)C)S(=O)(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C24H31NO3S/c1-16-13-17(2)15-18(14-16)25(29(27,28)19-9-7-6-8-10-19)21-20-11-12-24(5,22(21)26)23(20,3)4/h6-10,13-15,20-22,26H,11-12H2,1-5H3/t20-,21+,22+,24+/m1/s1
InChIKey
XOYOZKHVKVMVIE-VCHRRKICSA-N
Compound name
N-(3,5-dimethylphenyl)-N-[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.20245 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20973 195.9
[M+Na]+ 436.19167 205.6
[M+NH4]+ 431.23627 206.6
[M+K]+ 452.16561 197.5
[M-H]- 412.19517 199.9
[M+Na-2H]- 434.17712 203.2
[M]+ 413.20190 199.2
[M]- 413.20300 199.2
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.