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 199.2
[M+Na]+ 417.21487 212.4
[M+NH4]+ 412.25947 205.5
[M+K]+ 433.18881 206.9
[M-H]- 393.21837 203.0
[M+Na-2H]- 415.20032 204.2
[M]+ 394.22510 202.1
[M]- 394.22620 202.1
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.