CID 369200

Nsc640906

Structural Information

Molecular Formula
C20H29NO2
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)C(C)(C)C
InChI
InChI=1S/C20H29NO2/c1-8(2)21(9(3)4)17(23)20-13-10-14(20)12-15(20)11(13)19(10,12)16(22)18(5,6)7/h8-15H,1-7H3
InChIKey
YJKKONRXSNODAR-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylpropanoyl)-N,N-di(propan-2-yl)cubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 248.0
[M+Na]+ 338.20904 245.5
[M-H]- 314.21254 251.2
[M+NH4]+ 333.25364 241.7
[M+K]+ 354.18298 250.2
[M+H-H2O]+ 298.21708 234.5
[M+HCOO]- 360.21802 246.4
[M+CH3COO]- 374.23367 270.7
[M+Na-2H]- 336.19449 237.1
[M]+ 315.21927 266.9
[M]- 315.22037 266.9
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.