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]+ 411.22783 202.2
[M+Na]+ 433.20977 210.1
[M-H]- 409.21327 209.4
[M+NH4]+ 428.25437 214.7
[M+K]+ 449.18371 206.5
[M+H-H2O]+ 393.21781 193.2
[M+HCOO]- 455.21875 223.6
[M+CH3COO]- 469.23440 232.3
[M+Na-2H]- 431.19522 200.5
[M]+ 410.22000 211.5
[M]- 410.22110 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.