CID 71130

Denaverine hydrochloride

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C
InChI
InChI=1S/C24H33NO3/c1-5-20(6-2)19-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(3)4/h7-16,20H,5-6,17-19H2,1-4H3
InChIKey
FPTOUQZVCUIPHY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(2-ethylbutoxy)-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

172
Patents

383.24603 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 197.1
[M+Na]+ 406.23525 207.4
[M+NH4]+ 401.27985 203.3
[M+K]+ 422.20919 200.7
[M-H]- 382.23875 200.6
[M+Na-2H]- 404.22070 204.0
[M]+ 383.24548 199.5
[M]- 383.24658 199.5
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