CID 11133074

99295-72-4

Structural Information

Molecular Formula
C22H39NO3S
SMILES
CC1([C@H]2CC[C@@]1([C@H](C2)O)CS(=O)(=O)N(C3CCCCC3)C4CCCCC4)C
InChI
InChI=1S/C22H39NO3S/c1-21(2)17-13-14-22(21,20(24)15-17)16-27(25,26)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h17-20,24H,3-16H2,1-2H3/t17-,20-,22-/m0/s1
InChIKey
UOFKHCXOCUOSKA-XJABCFGWSA-N
Compound name
N,N-dicyclohexyl-1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

397.26508 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.27236 197.6
[M+Na]+ 420.25430 198.0
[M-H]- 396.25780 203.4
[M+NH4]+ 415.29890 217.1
[M+K]+ 436.22824 194.9
[M+H-H2O]+ 380.26234 193.0
[M+HCOO]- 442.26328 203.2
[M+CH3COO]- 456.27893 219.8
[M+Na-2H]- 418.23975 195.0
[M]+ 397.26453 192.3
[M]- 397.26563 192.3
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