CID 3079908

Brn 4201827

Structural Information

Molecular Formula
C21H23NO2
SMILES
CC1=CC=C(C=C1)C2=CC(=O)C(=NC34CC5CC(C3)CC(C5)C4)O2
InChI
InChI=1S/C21H23NO2/c1-13-2-4-17(5-3-13)19-9-18(23)20(24-19)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,9,14-16H,6-8,10-12H2,1H3
InChIKey
DCZFOOOJBSCTHM-UHFFFAOYSA-N
Compound name
2-(1-adamantylimino)-5-(4-methylphenyl)furan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 172.5
[M+Na]+ 344.16210 184.0
[M+NH4]+ 339.20670 185.6
[M+K]+ 360.13604 174.9
[M-H]- 320.16560 176.6
[M+Na-2H]- 342.14755 172.2
[M]+ 321.17233 175.5
[M]- 321.17343 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.