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 206.1
[M+Na]+ 445.20977 212.5
[M-H]- 421.21327 212.7
[M+NH4]+ 440.25437 217.5
[M+K]+ 461.18371 208.6
[M+H-H2O]+ 405.21781 197.2
[M+HCOO]- 467.21875 225.7
[M+CH3COO]- 481.23440 231.7
[M+Na-2H]- 443.19522 206.4
[M]+ 422.22000 213.6
[M]- 422.22110 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