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]+ 316.227096 248.0
[M+Na]+ 338.209038 245.5
[M-H]- 314.212544 251.2
[M+NH4]+ 333.253643 241.7
[M+K]+ 354.182978 250.2
[M+H-H2O]+ 298.217080 234.5
[M+HCOO]- 360.218021 246.4
[M+CH3COO]- 374.233671 270.7
[M+Na-2H]- 336.194486 237.1
[M]+ 315.21927142 266.9
[M]- 315.22036858 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.