CID 491846

1-[1-(3-aminophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrol-3-yl]ethanone

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC1=C(C=C(N1C2=CC=CC(=C2)N)C3=CC(=CC=C3)OC)C(=O)C
InChI
InChI=1S/C20H20N2O2/c1-13-19(14(2)23)12-20(15-6-4-9-18(10-15)24-3)22(13)17-8-5-7-16(21)11-17/h4-12H,21H2,1-3H3
InChIKey
TXMCMMRSVYLALX-UHFFFAOYSA-N
Compound name
1-[1-(3-aminophenyl)-5-(3-methoxyphenyl)-2-methylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

320.15247 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.9
[M+Na]+ 343.14169 185.6
[M-H]- 319.14519 186.1
[M+NH4]+ 338.18629 191.4
[M+K]+ 359.11563 180.5
[M+H-H2O]+ 303.14973 168.0
[M+HCOO]- 365.15067 200.1
[M+CH3COO]- 379.16632 212.7
[M+Na-2H]- 341.12714 176.3
[M]+ 320.15192 178.6
[M]- 320.15302 178.6
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