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]+ 384.25331 198.6
[M+Na]+ 406.23525 199.8
[M-H]- 382.23875 203.3
[M+NH4]+ 401.27985 209.1
[M+K]+ 422.20919 196.3
[M+H-H2O]+ 366.24329 189.1
[M+HCOO]- 428.24423 217.7
[M+CH3COO]- 442.25988 223.3
[M+Na-2H]- 404.22070 200.1
[M]+ 383.24548 202.1
[M]- 383.24658 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.