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 204.8
[M+Na]+ 453.15734 213.3
[M-H]- 429.16084 220.5
[M+NH4]+ 448.20194 212.5
[M+K]+ 469.13128 207.7
[M+H-H2O]+ 413.16538 193.7
[M+HCOO]- 475.16632 222.9
[M+CH3COO]- 489.18197 214.5
[M+Na-2H]- 451.14279 203.4
[M]+ 430.16757 206.4
[M]- 430.16867 206.4
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.