CID 53488

76410-21-4

Structural Information

Molecular Formula
C28H30N2O4
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCC3=CC=CC=C3)O)C4=CC=CC=C4)C
InChI
InChI=1S/C28H30N2O4/c1-3-33-28(32)27-20(2)30(22-12-8-5-9-13-22)26-15-14-24(16-25(26)27)34-19-23(31)18-29-17-21-10-6-4-7-11-21/h4-16,23,29,31H,3,17-19H2,1-2H3
InChIKey
GDCAMLWNANLOHI-UHFFFAOYSA-N
Compound name
ethyl 5-[3-(benzylamino)-2-hydroxypropoxy]-2-methyl-1-phenylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

458.22055 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.22783 215.3
[M+Na]+ 481.20977 228.9
[M+NH4]+ 476.25437 221.2
[M+K]+ 497.18371 222.4
[M-H]- 457.21327 220.9
[M+Na-2H]- 479.19522 222.8
[M]+ 458.22000 218.8
[M]- 458.22110 218.8
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