CID 618227

1-trityl-4-nitroimidazole

Structural Information

Molecular Formula
C22H17N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H17N3O2/c26-25(27)21-16-24(17-23-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey
MUQGVERJAKANJN-UHFFFAOYSA-N
Compound name
4-nitro-1-tritylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

355.13208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 183.3
[M+Na]+ 378.12130 187.5
[M-H]- 354.12480 193.2
[M+NH4]+ 373.16590 192.5
[M+K]+ 394.09524 177.4
[M+H-H2O]+ 338.12934 176.1
[M+HCOO]- 400.13028 204.5
[M+CH3COO]- 414.14593 206.5
[M+Na-2H]- 376.10675 191.0
[M]+ 355.13153 179.7
[M]- 355.13263 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe