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]+ 308.16451 161.7
[M+Na]+ 330.14645 164.2
[M-H]- 306.14995 165.1
[M+NH4]+ 325.19105 183.8
[M+K]+ 346.12039 160.3
[M+H-H2O]+ 290.15449 152.7
[M+HCOO]- 352.15543 171.1
[M+CH3COO]- 366.17108 170.6
[M+Na-2H]- 328.13190 170.0
[M]+ 307.15668 161.8
[M]- 307.15778 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.