CID 207090

Di-n-propylacetyl-homatropine [french]

Structural Information

Molecular Formula
C24H35NO4
SMILES
CCCC(CCC)C(=O)OC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C
InChI
InChI=1S/C24H35NO4/c1-4-9-18(10-5-2)23(26)29-22(17-11-7-6-8-12-17)24(27)28-21-15-19-13-14-20(16-21)25(19)3/h6-8,11-12,18-22H,4-5,9-10,13-16H2,1-3H3
InChIKey
YTMJGZOPPXTXGG-UHFFFAOYSA-N
Compound name
[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-2-oxo-1-phenylethyl] 2-propylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

401.25662 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.263896 203.1
[M+Na]+ 424.245838 203.5
[M-H]- 400.249344 205.4
[M+NH4]+ 419.290443 215.2
[M+K]+ 440.219778 200.7
[M+H-H2O]+ 384.253880 194.7
[M+HCOO]- 446.254821 214.2
[M+CH3COO]- 460.270471 225.4
[M+Na-2H]- 422.231286 197.4
[M]+ 401.25607142 204.2
[M]- 401.25716858 204.2
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

patents stripe