CID 53490

76410-22-5

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC(C)C)O)C3=CC=CC=C3)C
InChI
InChI=1S/C24H30N2O4/c1-5-29-24(28)23-17(4)26(18-9-7-6-8-10-18)22-12-11-20(13-21(22)23)30-15-19(27)14-25-16(2)3/h6-13,16,19,25,27H,5,14-15H2,1-4H3
InChIKey
WIYSTQYESZQTAZ-UHFFFAOYSA-N
Compound name
ethyl 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-methyl-1-phenylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

410.22055 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 202.0
[M+Na]+ 433.209768 207.3
[M-H]- 409.213274 207.1
[M+NH4]+ 428.254373 213.1
[M+K]+ 449.183708 203.5
[M+H-H2O]+ 393.217810 193.0
[M+HCOO]- 455.218751 220.9
[M+CH3COO]- 469.234401 228.3
[M+Na-2H]- 431.195216 200.2
[M]+ 410.22000142 208.0
[M]- 410.22109858 208.0
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