CID 3079910

Brn 4204015

Structural Information

Molecular Formula
C20H20ClNO2
SMILES
C1C2CC3CC1CC(C2)(C3)N=C4C(=O)C=C(O4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C20H20ClNO2/c21-16-3-1-15(2-4-16)18-8-17(23)19(24-18)22-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2
InChIKey
HDBMVUAKYUGMLX-UHFFFAOYSA-N
Compound name
2-(1-adamantylimino)-5-(4-chlorophenyl)furan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.11826 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12554 172.7
[M+Na]+ 364.10748 176.9
[M-H]- 340.11098 176.1
[M+NH4]+ 359.15208 194.6
[M+K]+ 380.08142 171.7
[M+H-H2O]+ 324.11552 164.6
[M+HCOO]- 386.11646 177.6
[M+CH3COO]- 400.13211 181.3
[M+Na-2H]- 362.09293 179.5
[M]+ 341.11771 175.4
[M]- 341.11881 175.4
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

No patent data available for this compound.