CID 491841

1-(3-chloro-phenyl)-5-(3-methoxy-phenyl)-2-methyl-1h-pyrrole-3-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C21H20ClNO3
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC(=CC=C2)OC)C3=CC(=CC=C3)Cl)C
InChI
InChI=1S/C21H20ClNO3/c1-4-26-21(24)19-13-20(15-7-5-10-18(11-15)25-3)23(14(19)2)17-9-6-8-16(22)12-17/h5-13H,4H2,1-3H3
InChIKey
FALAFVFBRGBOHG-UHFFFAOYSA-N
Compound name
ethyl 1-(3-chlorophenyl)-5-(3-methoxyphenyl)-2-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.11316 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12044 187.2
[M+Na]+ 392.10238 197.0
[M-H]- 368.10588 196.4
[M+NH4]+ 387.14698 201.1
[M+K]+ 408.07632 191.1
[M+H-H2O]+ 352.11042 178.5
[M+HCOO]- 414.11136 205.1
[M+CH3COO]- 428.12701 216.2
[M+Na-2H]- 390.08783 186.0
[M]+ 369.11261 194.4
[M]- 369.11371 194.4
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.