CID 2747

Cibenzoline

Structural Information

Molecular Formula
C18H18N2
SMILES
C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)
InChIKey
IPOBOOXFSRWSHL-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

336
References

1972
Patents

262.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 161.0
[M+Na]+ 285.136218 169.5
[M-H]- 261.139724 169.9
[M+NH4]+ 280.180823 172.5
[M+K]+ 301.110158 163.8
[M+H-H2O]+ 245.144260 152.0
[M+HCOO]- 307.145201 181.3
[M+CH3COO]- 321.160851 171.9
[M+Na-2H]- 283.121666 165.5
[M]+ 262.14645142 159.1
[M]- 262.14754858 159.1
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

patents stripe