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

2196
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

literature stripe

Patent stripe

patents stripe