CID 3059435

76460-54-3

Structural Information

Molecular Formula
C25H30N2O4
SMILES
CCCN1C2=C(C=C(C=C2)OC(C)(C)C(=O)OCC)C=C1C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C25H30N2O4/c1-6-14-27-22-13-12-21(31-25(4,5)24(29)30-7-2)15-19(22)16-23(27)18-8-10-20(11-9-18)26-17(3)28/h8-13,15-16H,6-7,14H2,1-5H3,(H,26,28)
InChIKey
TUIQWZIISNXFBI-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(4-acetamidophenyl)-1-propylindol-5-yl]oxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

422.22055 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.227826 206.1
[M+Na]+ 445.209768 212.5
[M-H]- 421.213274 212.7
[M+NH4]+ 440.254373 217.5
[M+K]+ 461.183708 208.6
[M+H-H2O]+ 405.217810 197.2
[M+HCOO]- 467.218751 225.7
[M+CH3COO]- 481.234401 231.7
[M+Na-2H]- 443.195216 206.4
[M]+ 422.22000142 213.6
[M]- 422.22109858 213.6
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