CID 3024468

2-(dibutylamino)ethyl benzilate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.253306 198.6
[M+Na]+ 406.235248 199.8
[M-H]- 382.238754 203.3
[M+NH4]+ 401.279853 209.1
[M+K]+ 422.209188 196.3
[M+H-H2O]+ 366.243290 189.1
[M+HCOO]- 428.244231 217.7
[M+CH3COO]- 442.259881 223.3
[M+Na-2H]- 404.220696 200.1
[M]+ 383.24548142 202.1
[M]- 383.24657858 202.1
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.