CID 499928

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

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CNC3=CC=C(C=C3)C)O
InChI
InChI=1S/C23H26N2O3/c1-3-28-23(27)22-16-25(15-21(22)18-7-5-4-6-8-18)14-20(26)13-24-19-11-9-17(2)10-12-19/h4-12,15-16,20,24,26H,3,13-14H2,1-2H3
InChIKey
PCPLAHKSFMFRDT-UHFFFAOYSA-N
Compound name
ethyl 1-[2-hydroxy-3-(4-methylanilino)propyl]-4-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 193.0
[M+Na]+ 401.18356 197.4
[M-H]- 377.18706 199.9
[M+NH4]+ 396.22816 203.8
[M+K]+ 417.15750 192.5
[M+H-H2O]+ 361.19160 183.1
[M+HCOO]- 423.19254 213.3
[M+CH3COO]- 437.20819 219.6
[M+Na-2H]- 399.16901 191.7
[M]+ 378.19379 194.6
[M]- 378.19489 194.6
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.