CID 470445

Chembl102083

Structural Information

Molecular Formula
C15H17NO3
SMILES
CCOC(=O)C1=CN(C=C1C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C15H17NO3/c1-4-19-15(17)14-10-16(2)9-13(14)11-5-7-12(18-3)8-6-11/h5-10H,4H2,1-3H3
InChIKey
FTBSUCWPYNSEMQ-UHFFFAOYSA-N
Compound name
ethyl 4-(4-methoxyphenyl)-1-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 158.4
[M+Na]+ 282.11007 167.2
[M-H]- 258.11357 164.5
[M+NH4]+ 277.15467 176.1
[M+K]+ 298.08401 164.7
[M+H-H2O]+ 242.11811 150.9
[M+HCOO]- 304.11905 181.9
[M+CH3COO]- 318.13470 196.4
[M+Na-2H]- 280.09552 160.2
[M]+ 259.12030 163.3
[M]- 259.12140 163.3
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.