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]+ 291.13393 153.5
[M+Na]+ 313.11587 153.1
[M-H]- 289.11937 152.4
[M+NH4]+ 308.16047 172.8
[M+K]+ 329.08981 148.2
[M+H-H2O]+ 273.12391 152.1
[M+HCOO]- 335.12485 162.7
[M+CH3COO]- 349.14050 205.0
[M+Na-2H]- 311.10132 163.8
[M]+ 290.12610 153.1
[M]- 290.12720 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.