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 207.2
[M+Na]+ 454.19888 208.1
[M-H]- 430.20238 214.8
[M+NH4]+ 449.24348 214.7
[M+K]+ 470.17282 203.8
[M+H-H2O]+ 414.20692 196.1
[M+HCOO]- 476.20786 226.7
[M+CH3COO]- 490.22351 229.4
[M+Na-2H]- 452.18433 209.8
[M]+ 431.20911 209.4
[M]- 431.21021 209.4
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

patents stripe