CID 491829

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

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC(=CC=C2)OC)C3=CC=CC(=C3)N)C
InChI
InChI=1S/C21H22N2O3/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,4,22H2,1-3H3
InChIKey
HCCIMIRVUGQFIH-UHFFFAOYSA-N
Compound name
ethyl 1-(3-aminophenyl)-5-(3-methoxyphenyl)-2-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 184.8
[M+Na]+ 373.15228 192.8
[M-H]- 349.15578 193.8
[M+NH4]+ 368.19688 198.0
[M+K]+ 389.12622 188.3
[M+H-H2O]+ 333.16032 175.4
[M+HCOO]- 395.16126 207.8
[M+CH3COO]- 409.17691 217.2
[M+Na-2H]- 371.13773 183.7
[M]+ 350.16251 188.1
[M]- 350.16361 188.1
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.