CID 3024434

2-(dipropylamino)ethyl benzilate hydrochloride

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCCN(CCC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C22H29NO3/c1-3-15-23(16-4-2)17-18-26-21(24)22(25,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,25H,3-4,15-18H2,1-2H3
InChIKey
VHCUYVHFOTYLRH-UHFFFAOYSA-N
Compound name
2-(dipropylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.222026 189.5
[M+Na]+ 378.203968 191.6
[M-H]- 354.207474 194.6
[M+NH4]+ 373.248573 201.2
[M+K]+ 394.177908 188.5
[M+H-H2O]+ 338.212010 180.4
[M+HCOO]- 400.212951 209.4
[M+CH3COO]- 414.228601 217.4
[M+Na-2H]- 376.189416 192.1
[M]+ 355.21420142 192.4
[M]- 355.21529858 192.4
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.