CID 369199

Nsc640905

Structural Information

Molecular Formula
C19H27NO2
SMILES
CC(C)(C)C(=O)C12C3C4C1C5C2C3C45C(=O)N(C)C(C)(C)C
InChI
InChI=1S/C19H27NO2/c1-16(2,3)14(21)18-8-11-9(18)13-10(18)12(8)19(11,13)15(22)20(7)17(4,5)6/h8-13H,1-7H3
InChIKey
SWRIWNPXRKMKFO-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-(2,2-dimethylpropanoyl)-N-methylcubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 242.4
[M+Na]+ 324.19342 240.7
[M-H]- 300.19692 245.9
[M+NH4]+ 319.23802 236.7
[M+K]+ 340.16736 245.2
[M+H-H2O]+ 284.20146 229.7
[M+HCOO]- 346.20240 241.4
[M+CH3COO]- 360.21805 269.4
[M+Na-2H]- 322.17887 233.2
[M]+ 301.20365 261.7
[M]- 301.20475 261.7
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.