CID 204359

Indole-3-carboxylic acid, 4-((diethylamino)methyl)-5-hydroxy-2-methyl-1-p-tolyl-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCN(CC)CC1=C(C=CC2=C1C(=C(N2C3=CC=C(C=C3)C)C)C(=O)OCC)O
InChI
InChI=1S/C24H30N2O3/c1-6-25(7-2)15-19-21(27)14-13-20-23(19)22(24(28)29-8-3)17(5)26(20)18-11-9-16(4)10-12-18/h9-14,27H,6-8,15H2,1-5H3
InChIKey
UODBKEVLUYHJMW-UHFFFAOYSA-N
Compound name
ethyl 4-(diethylaminomethyl)-5-hydroxy-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 199.4
[M+Na]+ 417.21487 207.6
[M-H]- 393.21837 206.6
[M+NH4]+ 412.25947 212.7
[M+K]+ 433.18881 203.2
[M+H-H2O]+ 377.22291 190.6
[M+HCOO]- 439.22385 220.6
[M+CH3COO]- 453.23950 230.2
[M+Na-2H]- 415.20032 197.5
[M]+ 394.22510 207.3
[M]- 394.22620 207.3
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.