CID 45050881

853310-41-5

Structural Information

Molecular Formula
C29H22N2O2
SMILES
CC1=CC=C(C=C1)N2C(=C(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C29H22N2O2/c1-20-12-15-24(16-13-20)31-28(22-10-6-3-7-11-22)27(21-8-4-2-5-9-21)30-29(31)23-14-17-25-26(18-23)33-19-32-25/h2-18H,19H2,1H3
InChIKey
WTMCKAKXRNQTQL-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4,5-diphenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.16812 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17540 205.1
[M+Na]+ 453.15734 224.9
[M+NH4]+ 448.20194 214.2
[M+K]+ 469.13128 218.0
[M-H]- 429.16084 218.4
[M+Na-2H]- 451.14279 217.0
[M]+ 430.16757 212.3
[M]- 430.16867 212.3
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

No patent data available for this compound.