CID 3054993

71875-80-4

Structural Information

Molecular Formula
C24H38N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C
InChI
InChI=1S/C24H38N2O3/c1-4-5-6-7-10-17-28-21-12-9-8-11-20(21)25-24(27)29-23-19-15-13-18(14-16-19)22(23)26(2)3/h8-9,11-12,18-19,22-23H,4-7,10,13-17H2,1-3H3,(H,25,27)/t18?,19?,22-,23-/m0/s1
InChIKey
RRFWGJVLBCZBRM-SAVSZJDKSA-N
Compound name
[(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.28824 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.295516 199.8
[M+Na]+ 425.277458 198.0
[M-H]- 401.280964 198.5
[M+NH4]+ 420.322063 214.7
[M+K]+ 441.251398 195.9
[M+H-H2O]+ 385.285500 191.5
[M+HCOO]- 447.286441 209.9
[M+CH3COO]- 461.302091 237.6
[M+Na-2H]- 423.262906 203.7
[M]+ 402.28769142 204.4
[M]- 402.28878858 204.4
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.