CID 198088

Bimetopyrol

Structural Information

Molecular Formula

C₁₉H₁₉NO₂

SMILES

CC1=CC(=C(N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H19NO2/c1-13-12-18(14-4-8-16(21-2)9-5-14)19(20-13)15-6-10-17(22-3)11-7-15/h4-12,20H,1-3H3

InChIKey

WABWKXZHYGHSCI-UHFFFAOYSA-N

Compound name

2,3-bis(4-methoxyphenyl)-5-methyl-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 293.14157 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.148846	168.9
[M+Na]+	316.130788	177.7
[M-H]-	292.134294	176.9
[M+NH4]+	311.175393	184.3
[M+K]+	332.104728	172.3
[M+H-H2O]+	276.138830	160.3
[M+HCOO]-	338.139771	191.3
[M+CH3COO]-	352.155421	180.9
[M+Na-2H]-	314.116236	170.7
[M]+	293.14102142	170.9
[M]-	293.14211858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe