CID 491833

Ethyl 5-(3-aminophenyl)-2-methyl-1-phenyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC(=CC=C2)N)C3=CC=CC=C3)C
InChI
InChI=1S/C20H20N2O2/c1-3-24-20(23)18-13-19(15-8-7-9-16(21)12-15)22(14(18)2)17-10-5-4-6-11-17/h4-13H,3,21H2,1-2H3
InChIKey
MMJLKHVNHXYSLS-UHFFFAOYSA-N
Compound name
ethyl 5-(3-aminophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 177.2
[M+Na]+ 343.14169 185.0
[M-H]- 319.14519 186.0
[M+NH4]+ 338.18629 191.4
[M+K]+ 359.11563 179.9
[M+H-H2O]+ 303.14973 168.0
[M+HCOO]- 365.15067 200.4
[M+CH3COO]- 379.16632 210.8
[M+Na-2H]- 341.12714 177.2
[M]+ 320.15192 178.4
[M]- 320.15302 178.4
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.