CID 491837

Schembl7166012

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=CC(=C3)N)C
InChI
InChI=1S/C20H20N2O2/c1-3-24-20(23)18-13-19(15-8-5-4-6-9-15)22(14(18)2)17-11-7-10-16(21)12-17/h4-13H,3,21H2,1-2H3
InChIKey
VBSSSFBWHPKQOQ-UHFFFAOYSA-N
Compound name
ethyl 1-(3-aminophenyl)-2-methyl-5-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

320.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 177.2
[M+Na]+ 343.14169 185.0
[M-H]- 319.14519 186.0
[M+NH4]+ 338.18629 191.4
[M+K]+ 359.11563 179.9
[M+H-H2O]+ 303.14973 168.0
[M+HCOO]- 365.15067 200.4
[M+CH3COO]- 379.16632 210.8
[M+Na-2H]- 341.12714 177.2
[M]+ 320.15192 178.4
[M]- 320.15302 178.4
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