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

5
Patents

293.14157 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 170.7
[M+Na]+ 316.13079 186.3
[M+NH4]+ 311.17539 179.1
[M+K]+ 332.10473 179.6
[M-H]- 292.13429 176.5
[M+Na-2H]- 314.11624 180.4
[M]+ 293.14102 174.7
[M]- 293.14212 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe