CID 369209

Nsc640915

Structural Information

Molecular Formula
C23H25NO2
SMILES
CC(C)(C)N(C)C(=O)C12C3C4C1C5C4C3C25C(=O)C67C8C9C6C1C9C8C71
InChI
InChI=1S/C23H25NO2/c1-20(2,3)24(4)19(26)23-16-10-9-14(16)22(23,15(9)17(10)23)18(25)21-11-6-5-7(11)13(21)8(5)12(6)21/h5-17H,1-4H3
InChIKey
KNSWQKCIZCNLFC-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-(cubane-1-carbonyl)-N-methylcubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 171.4
[M+Na]+ 370.17776 171.2
[M-H]- 346.18126 172.2
[M+NH4]+ 365.22236 170.6
[M+K]+ 386.15170 170.5
[M+H-H2O]+ 330.18580 169.5
[M+HCOO]- 392.18674 169.8
[M+CH3COO]- 406.20239 273.2
[M+Na-2H]- 368.16321 165.7
[M]+ 347.18799 171.3
[M]- 347.18909 171.3
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.