CID 499923

Ethyl 5-chloro-1-[2-hydroxy-3-(2-methoxycarbonylanilino)propyl]indole-2-carboxylate

Structural Information

Molecular Formula
C22H23ClN2O5
SMILES
CCOC(=O)C1=CC2=C(N1CC(CNC3=CC=CC=C3C(=O)OC)O)C=CC(=C2)Cl
InChI
InChI=1S/C22H23ClN2O5/c1-3-30-22(28)20-11-14-10-15(23)8-9-19(14)25(20)13-16(26)12-24-18-7-5-4-6-17(18)21(27)29-2/h4-11,16,24,26H,3,12-13H2,1-2H3
InChIKey
LNFGLLLZWSPLFS-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-1-[2-hydroxy-3-(2-methoxycarbonylanilino)propyl]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.12955 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13683 200.3
[M+Na]+ 453.11877 207.5
[M-H]- 429.12227 205.8
[M+NH4]+ 448.16337 211.4
[M+K]+ 469.09271 202.7
[M+H-H2O]+ 413.12681 192.3
[M+HCOO]- 475.12775 215.9
[M+CH3COO]- 489.14340 226.8
[M+Na-2H]- 451.10422 199.4
[M]+ 430.12900 208.8
[M]- 430.13010 208.8
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.