CID 204361

16200-05-8

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CCN(CC)CC1=C(C=CC2=C1C(=C(N2C3=CC=C(C=C3)OC)C)C(=O)OCC)O
InChI
InChI=1S/C24H30N2O4/c1-6-25(7-2)15-19-21(27)14-13-20-23(19)22(24(28)30-8-3)16(4)26(20)17-9-11-18(29-5)12-10-17/h9-14,27H,6-8,15H2,1-5H3
InChIKey
DTWCTDYEEPHWPV-UHFFFAOYSA-N
Compound name
ethyl 4-(diethylaminomethyl)-5-hydroxy-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 202.2
[M+Na]+ 433.209768 210.1
[M-H]- 409.213274 209.4
[M+NH4]+ 428.254373 214.7
[M+K]+ 449.183708 206.5
[M+H-H2O]+ 393.217810 193.2
[M+HCOO]- 455.218751 223.6
[M+CH3COO]- 469.234401 232.3
[M+Na-2H]- 431.195216 200.5
[M]+ 410.22000142 211.5
[M]- 410.22109858 211.5
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

No patent data available for this compound.