CID 461173

Ethyl 5-(4-methoxyphenyl)-2-methyl-1-phenyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C21H21NO3
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C
InChI
InChI=1S/C21H21NO3/c1-4-25-21(23)19-14-20(16-10-12-18(24-3)13-11-16)22(15(19)2)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3
InChIKey
QBMKNPOEOZYMBK-UHFFFAOYSA-N
Compound name
ethyl 5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.15213 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15941 180.3
[M+Na]+ 358.14135 188.4
[M-H]- 334.14485 189.4
[M+NH4]+ 353.18595 194.4
[M+K]+ 374.11529 184.1
[M+H-H2O]+ 318.14939 171.0
[M+HCOO]- 380.15033 202.9
[M+CH3COO]- 394.16598 211.4
[M+Na-2H]- 356.12680 180.3
[M]+ 335.15158 184.8
[M]- 335.15268 184.8
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.