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

0
Patents

305.14157 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14885 173.0
[M+Na]+ 328.13079 180.4
[M-H]- 304.13429 180.5
[M+NH4]+ 323.17539 187.5
[M+K]+ 344.10473 174.7
[M+H-H2O]+ 288.13883 164.2
[M+HCOO]- 350.13977 194.3
[M+CH3COO]- 364.15542 202.7
[M+Na-2H]- 326.11624 173.8
[M]+ 305.14102 173.6
[M]- 305.14212 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

No patent data available for this compound.