CID 499920

Ethyl 1-[2-hydroxy-3-(2-methoxycarbonylanilino)propyl]indole-2-carboxylate

Structural Information

Molecular Formula
C22H24N2O5
SMILES
CCOC(=O)C1=CC2=CC=CC=C2N1CC(CNC3=CC=CC=C3C(=O)OC)O
InChI
InChI=1S/C22H24N2O5/c1-3-29-22(27)20-12-15-8-4-7-11-19(15)24(20)14-16(25)13-23-18-10-6-5-9-17(18)21(26)28-2/h4-12,16,23,25H,3,13-14H2,1-2H3
InChIKey
CYQHWBXTSQFICX-UHFFFAOYSA-N
Compound name
ethyl 1-[2-hydroxy-3-(2-methoxycarbonylanilino)propyl]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.16852 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17580 194.4
[M+Na]+ 419.15774 199.8
[M-H]- 395.16124 199.6
[M+NH4]+ 414.20234 205.6
[M+K]+ 435.13168 196.5
[M+H-H2O]+ 379.16578 185.4
[M+HCOO]- 441.16672 214.4
[M+CH3COO]- 455.18237 222.0
[M+Na-2H]- 417.14319 194.5
[M]+ 396.16797 199.9
[M]- 396.16907 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.