CID 17102621

Akos004006577

Structural Information

Molecular Formula
C15H18N2O4
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C15H18N2O4/c18-15(12-1-2-13(21-12)17(19)20)16-14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14H,3-7H2,(H,16,18)
InChIKey
UAMQETIWJJHDBQ-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.133926 153.5
[M+Na]+ 313.115868 153.1
[M-H]- 289.119374 152.4
[M+NH4]+ 308.160473 172.8
[M+K]+ 329.089808 148.2
[M+H-H2O]+ 273.123910 152.1
[M+HCOO]- 335.124851 162.7
[M+CH3COO]- 349.140501 205.0
[M+Na-2H]- 311.101316 163.8
[M]+ 290.12610142 153.1
[M]- 290.12719858 153.1
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.