CID 3060500

Benzilic acid, 3-(dibutylamino)propyl ester

Structural Information

Molecular Formula
C25H35NO3
SMILES
CCCCN(CCCC)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C25H35NO3/c1-3-5-18-26(19-6-4-2)20-13-21-29-24(27)25(28,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17,28H,3-6,13,18-21H2,1-2H3
InChIKey
SBRCAXINFANJME-UHFFFAOYSA-N
Compound name
3-(dibutylamino)propyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.2617 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.26898 203.1
[M+Na]+ 420.25092 203.8
[M-H]- 396.25442 207.6
[M+NH4]+ 415.29552 213.0
[M+K]+ 436.22486 200.1
[M+H-H2O]+ 380.25896 193.4
[M+HCOO]- 442.25990 221.9
[M+CH3COO]- 456.27555 226.3
[M+Na-2H]- 418.23637 204.0
[M]+ 397.26115 206.9
[M]- 397.26225 206.9
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.