CID 373489

Nsc649896

Structural Information

Molecular Formula
C25H29NO2
SMILES
CC12C3C4C1C5C2C3C45C(=O)C67C8C9C6C1(C7C8C91C(=O)N(C)C(C)(C)C)C
InChI
InChI=1S/C25H29NO2/c1-20(2,3)26(6)19(28)25-14-13-15(25)17-22(25,5)16(14)24(13,17)18(27)23-10-7-11(23)9-12(23)8(10)21(7,9)4/h7-17H,1-6H3
InChIKey
MVEPNNJIZFXFLP-UHFFFAOYSA-N
Compound name
N-tert-butyl-N,2-dimethyl-4-(4-methylcubane-1-carbonyl)cubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.21982 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22710 170.8
[M+Na]+ 398.20904 170.5
[M-H]- 374.21254 171.6
[M+NH4]+ 393.25364 170.0
[M+K]+ 414.18298 169.8
[M+H-H2O]+ 358.21708 169.0
[M+HCOO]- 420.21802 169.2
[M+CH3COO]- 434.23367 272.8
[M+Na-2H]- 396.19449 165.1
[M]+ 375.21927 170.7
[M]- 375.22037 170.7
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.