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

2
Patents

401.25662 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.26390 203.1
[M+Na]+ 424.24584 203.5
[M-H]- 400.24934 205.4
[M+NH4]+ 419.29044 215.2
[M+K]+ 440.21978 200.7
[M+H-H2O]+ 384.25388 194.7
[M+HCOO]- 446.25482 214.2
[M+CH3COO]- 460.27047 225.4
[M+Na-2H]- 422.23129 197.4
[M]+ 401.25607 204.2
[M]- 401.25717 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