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]+ 423.22783 204.2
[M+Na]+ 445.20977 215.7
[M+NH4]+ 440.25437 209.4
[M+K]+ 461.18371 211.4
[M-H]- 421.21327 206.6
[M+Na-2H]- 443.19522 209.2
[M]+ 422.22000 206.4
[M]- 422.22110 206.4
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