CID 42631463

176721-02-1

Structural Information

Molecular Formula
C31H26N2O
SMILES
CC1=C(C(=CC=C1)C(=O)C2=CN=CN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C31H26N2O/c1-23-13-12-20-28(24(23)2)30(34)29-21-32-22-33(29)31(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-22H,1-2H3
InChIKey
WPSPNQNZPWTZLN-UHFFFAOYSA-N
Compound name
(2,3-dimethylphenyl)-(3-tritylimidazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

442.2045 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.21178 211.9
[M+Na]+ 465.19372 217.2
[M-H]- 441.19722 224.3
[M+NH4]+ 460.23832 218.2
[M+K]+ 481.16766 208.8
[M+H-H2O]+ 425.20176 198.7
[M+HCOO]- 487.20270 229.3
[M+CH3COO]- 501.21835 219.6
[M+Na-2H]- 463.17917 212.1
[M]+ 442.20395 210.5
[M]- 442.20505 210.5
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.