CID 162669

Cyclodrine hydrochloride

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O
InChI
InChI=1S/C19H29NO3/c1-3-20(4-2)14-15-23-18(21)17(16-10-6-5-7-11-16)19(22)12-8-9-13-19/h5-7,10-11,17,22H,3-4,8-9,12-15H2,1-2H3
InChIKey
LMKPHJYTFHAGHK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2389
Patents

319.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 181.3
[M+Na]+ 342.20397 182.9
[M-H]- 318.20747 186.4
[M+NH4]+ 337.24857 198.1
[M+K]+ 358.17791 181.2
[M+H-H2O]+ 302.21201 173.9
[M+HCOO]- 364.21295 200.6
[M+CH3COO]- 378.22860 209.1
[M+Na-2H]- 340.18942 180.2
[M]+ 319.21420 181.2
[M]- 319.21530 181.2
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

No patent data available for this compound.