CID 369197

Nsc640903

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(C)(C)C(C12C3C4C1C5C2C3C45C(=O)N(C)C(C)(C)C)O
InChI
InChI=1S/C19H29NO2/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/h8-14,21H,1-7H3
InChIKey
DAACFRDEXNIXCF-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-(1-hydroxy-2,2-dimethylpropyl)-N-methylcubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.227096 245.1
[M+Na]+ 326.209038 243.1
[M-H]- 302.212544 248.2
[M+NH4]+ 321.253643 239.1
[M+K]+ 342.182978 247.6
[M+H-H2O]+ 286.217080 232.2
[M+HCOO]- 348.218021 243.5
[M+CH3COO]- 362.233671 269.0
[M+Na-2H]- 324.194486 235.5
[M]+ 303.21927142 264.0
[M]- 303.22036858 264.0
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.