CID 131181

Ta-383

Structural Information

Molecular Formula
C21H17ClN2
SMILES
C1=CC=C(C=C1)[C@H]2[C@H](N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14,19-20H,(H,23,24)/t19-,20+
InChIKey
INIUCLZHMSKGKA-BGYRXZFFSA-N
Compound name
(4R,5S)-2-(4-chlorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

117
Patents

332.10803 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.115306 179.1
[M+Na]+ 355.097248 187.3
[M-H]- 331.100754 187.4
[M+NH4]+ 350.141853 191.3
[M+K]+ 371.071188 177.9
[M+H-H2O]+ 315.105290 168.3
[M+HCOO]- 377.106231 194.0
[M+CH3COO]- 391.121881 189.1
[M+Na-2H]- 353.082696 180.8
[M]+ 332.10748142 177.2
[M]- 332.10857858 177.2
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