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 168.9
[M+Na]+ 316.13079 177.7
[M-H]- 292.13429 176.9
[M+NH4]+ 311.17539 184.3
[M+K]+ 332.10473 172.3
[M+H-H2O]+ 276.13883 160.3
[M+HCOO]- 338.13977 191.3
[M+CH3COO]- 352.15542 180.9
[M+Na-2H]- 314.11624 170.7
[M]+ 293.14102 170.9
[M]- 293.14212 170.9
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