CID 11258994

Ethyl 3-oxo-4-[2-[(triphenylmethyl)amino]ethoxy]butanoate

Structural Information

Molecular Formula
C27H29NO4
SMILES
CCOC(=O)CC(=O)COCCNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C27H29NO4/c1-2-32-26(30)20-25(29)21-31-19-18-28-27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,28H,2,18-21H2,1H3
InChIKey
QPDGJJOCZFBVLM-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-4-[2-(tritylamino)ethoxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

431.20966 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.21694 208.1
[M+Na]+ 454.19888 220.0
[M+NH4]+ 449.24348 213.8
[M+K]+ 470.17282 212.0
[M-H]- 430.20238 213.3
[M+Na-2H]- 452.18433 217.5
[M]+ 431.20911 211.3
[M]- 431.21021 211.3
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

patents stripe