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]+ 348.195816 171.4
[M+Na]+ 370.177758 171.2
[M-H]- 346.181264 172.2
[M+NH4]+ 365.222363 170.6
[M+K]+ 386.151698 170.5
[M+H-H2O]+ 330.185800 169.5
[M+HCOO]- 392.186741 169.8
[M+CH3COO]- 406.202391 273.2
[M+Na-2H]- 368.163206 165.7
[M]+ 347.18799142 171.3
[M]- 347.18908858 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.