CID 2773337

2-chloro-1-trityl-1h-imidazole

Structural Information

Molecular Formula
C22H17ClN2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4Cl
InChI
InChI=1S/C22H17ClN2/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
JTMBWVKMAGHXKI-UHFFFAOYSA-N
Compound name
2-chloro-1-tritylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10803 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11531 183.0
[M+Na]+ 367.09725 190.6
[M-H]- 343.10075 192.3
[M+NH4]+ 362.14185 194.8
[M+K]+ 383.07119 182.1
[M+H-H2O]+ 327.10529 171.7
[M+HCOO]- 389.10623 198.6
[M+CH3COO]- 403.12188 193.0
[M+Na-2H]- 365.08270 187.6
[M]+ 344.10748 183.1
[M]- 344.10858 183.1
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

No patent data available for this compound.