CID 2994355

N-1-adamantyl-5-nitro-2-furamide

Structural Information

Molecular Formula
C15H18N2O4
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C15H18N2O4/c18-14(12-1-2-13(21-12)17(19)20)16-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8H2,(H,16,18)
InChIKey
URUONALALDHCBG-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

290.12665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 153.7
[M+Na]+ 313.11587 153.7
[M-H]- 289.11937 152.5
[M+NH4]+ 308.16047 174.7
[M+K]+ 329.08981 148.6
[M+H-H2O]+ 273.12391 151.8
[M+HCOO]- 335.12485 162.9
[M+CH3COO]- 349.14050 203.3
[M+Na-2H]- 311.10132 165.5
[M]+ 290.12610 153.4
[M]- 290.12720 153.4
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

patents stripe