CID 618240

2-iodo-1-trityl-1h-imidazole

Structural Information

Molecular Formula
C22H17IN2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4I
InChI
InChI=1S/C22H17IN2/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
AAHIYUWXFHXGBO-UHFFFAOYSA-N
Compound name
2-iodo-1-tritylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

436.04364 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.05092 183.6
[M+Na]+ 459.03286 183.1
[M-H]- 435.03636 185.1
[M+NH4]+ 454.07746 190.4
[M+K]+ 475.00680 181.9
[M+H-H2O]+ 419.04090 168.9
[M+HCOO]- 481.04184 198.6
[M+CH3COO]- 495.05749 189.4
[M+Na-2H]- 457.01831 177.5
[M]+ 436.04309 178.7
[M]- 436.04419 178.7
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