CID 253134

Ethyl 2-methyl-4,5-diphenyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C20H19NO2
SMILES
CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H19NO2/c1-3-23-20(22)17-14(2)21-19(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-13,21H,3H2,1-2H3
InChIKey
ABPDNHZRNOLJJN-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.14157 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.148846 173.0
[M+Na]+ 328.130788 180.4
[M-H]- 304.134294 180.5
[M+NH4]+ 323.175393 187.5
[M+K]+ 344.104728 174.7
[M+H-H2O]+ 288.138830 164.2
[M+HCOO]- 350.139771 194.3
[M+CH3COO]- 364.155421 202.7
[M+Na-2H]- 326.116236 173.8
[M]+ 305.14102142 173.6
[M]- 305.14211858 173.6
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

patents stripe