CID 3079909

Brn 4204016

Structural Information

Molecular Formula
C20H20BrNO2
SMILES
C1C2CC3CC1CC(C2)(C3)N=C4C(=O)C=C(O4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C20H20BrNO2/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
DYNSKYLMYUWRBT-UHFFFAOYSA-N
Compound name
2-(1-adamantylimino)-5-(4-bromophenyl)furan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.06775 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07503 179.7
[M+Na]+ 408.05697 185.2
[M-H]- 384.06047 185.5
[M+NH4]+ 403.10157 202.1
[M+K]+ 424.03091 175.5
[M+H-H2O]+ 368.06501 177.6
[M+HCOO]- 430.06595 187.2
[M+CH3COO]- 444.08160 189.6
[M+Na-2H]- 406.04242 187.1
[M]+ 385.06720 197.7
[M]- 385.06830 197.7
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.