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]+ 403.29552 199.8
[M+Na]+ 425.27746 198.0
[M-H]- 401.28096 198.5
[M+NH4]+ 420.32206 214.7
[M+K]+ 441.25140 195.9
[M+H-H2O]+ 385.28550 191.5
[M+HCOO]- 447.28644 209.9
[M+CH3COO]- 461.30209 237.6
[M+Na-2H]- 423.26291 203.7
[M]+ 402.28769 204.4
[M]- 402.28879 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.