CID 499933

Ethyl 1-[2-hydroxy-3-(2-methoxycarbonylanilino)propyl]-4-phenyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C24H26N2O5
SMILES
CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CNC3=CC=CC=C3C(=O)OC)O
InChI
InChI=1S/C24H26N2O5/c1-3-31-24(29)21-16-26(15-20(21)17-9-5-4-6-10-17)14-18(27)13-25-22-12-8-7-11-19(22)23(28)30-2/h4-12,15-16,18,25,27H,3,13-14H2,1-2H3
InChIKey
ZLCPMUFZTSKJFD-UHFFFAOYSA-N
Compound name
ethyl 1-[2-hydroxy-3-(2-methoxycarbonylanilino)propyl]-4-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.18417 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 201.9
[M+Na]+ 445.17339 205.3
[M-H]- 421.17689 208.8
[M+NH4]+ 440.21799 210.5
[M+K]+ 461.14733 201.9
[M+H-H2O]+ 405.18143 191.7
[M+HCOO]- 467.18237 221.4
[M+CH3COO]- 481.19802 226.4
[M+Na-2H]- 443.15884 199.4
[M]+ 422.18362 205.3
[M]- 422.18472 205.3
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.