CID 424706

2-(dicyclopentylamino)ethyl benzilate hydrochloride

Structural Information

Molecular Formula
C26H33NO3
SMILES
C1CCC(C1)N(CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4CCCC4
InChI
InChI=1S/C26H33NO3/c28-25(26(29,21-11-3-1-4-12-21)22-13-5-2-6-14-22)30-20-19-27(23-15-7-8-16-23)24-17-9-10-18-24/h1-6,11-14,23-24,29H,7-10,15-20H2
InChIKey
ANMUIGQFOKGNKF-UHFFFAOYSA-N
Compound name
2-(dicyclopentylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.24603 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.25331 199.8
[M+Na]+ 430.23525 198.0
[M-H]- 406.23875 210.3
[M+NH4]+ 425.27985 211.6
[M+K]+ 446.20919 194.6
[M+H-H2O]+ 390.24329 190.7
[M+HCOO]- 452.24423 216.7
[M+CH3COO]- 466.25988 222.4
[M+Na-2H]- 428.22070 196.4
[M]+ 407.24548 194.7
[M]- 407.24658 194.7
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.