CID 386907

Nsc679807

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC(C)(C)NC(=O)C12C3C4C1C5C2C3C45C(=O)NC(C)(C)C
InChI
InChI=1S/C18H26N2O2/c1-15(2,3)19-13(21)17-7-10-8(17)12-9(17)11(7)18(10,12)14(22)20-16(4,5)6/h7-12H,1-6H3,(H,19,21)(H,20,22)
InChIKey
JRVSQBQQVQMPMO-UHFFFAOYSA-N
Compound name
1-N,4-N-ditert-butylcubane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 245.9
[M+Na]+ 325.18865 243.6
[M-H]- 301.19215 248.9
[M+NH4]+ 320.23325 239.7
[M+K]+ 341.16259 248.3
[M+H-H2O]+ 285.19669 232.3
[M+HCOO]- 347.19763 244.8
[M+CH3COO]- 361.21328 268.9
[M+Na-2H]- 323.17410 236.7
[M]+ 302.19888 264.4
[M]- 302.19998 264.4
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.