CID 618242

2-bromo-1-trityl-1h-imidazole

Structural Information

Molecular Formula
C22H17BrN2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4Br
InChI
InChI=1S/C22H17BrN2/c23-21-24-16-17-25(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
CSRUMYQPYPNDPR-UHFFFAOYSA-N
Compound name
2-bromo-1-tritylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

388.0575 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06478 187.7
[M+Na]+ 411.04672 197.1
[M-H]- 387.05022 199.6
[M+NH4]+ 406.09132 201.2
[M+K]+ 427.02066 184.0
[M+H-H2O]+ 371.05476 184.7
[M+HCOO]- 433.05570 206.0
[M+CH3COO]- 447.07135 199.5
[M+Na-2H]- 409.03217 193.7
[M]+ 388.05695 204.4
[M]- 388.05805 204.4
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