CID 3079907

126681-73-0

Structural Information

Molecular Formula
C20H21NO2
SMILES
C1C2CC3CC1CC(C2)(C3)N=C4C(=O)C=C(O4)C5=CC=CC=C5
InChI
InChI=1S/C20H21NO2/c22-17-9-18(16-4-2-1-3-5-16)23-19(17)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,9,13-15H,6-8,10-12H2
InChIKey
VBBFXPFWUSLLNF-UHFFFAOYSA-N
Compound name
2-(1-adamantylimino)-5-phenylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.164506 161.7
[M+Na]+ 330.146448 164.2
[M-H]- 306.149954 165.1
[M+NH4]+ 325.191053 183.8
[M+K]+ 346.120388 160.3
[M+H-H2O]+ 290.154490 152.7
[M+HCOO]- 352.155431 171.1
[M+CH3COO]- 366.171081 170.6
[M+Na-2H]- 328.131896 170.0
[M]+ 307.15668142 161.8
[M]- 307.15777858 161.8
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.