CID 369202

Nsc640908

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)N
InChI
InChI=1S/C16H22N2O2/c1-5(2)18(6(3)4)14(20)16-10-7-11(16)9-12(16)8(10)15(7,9)13(17)19/h5-12H,1-4H3,(H2,17,19)
InChIKey
UGUUKHGGWPLXIO-UHFFFAOYSA-N
Compound name
4-N,4-N-di(propan-2-yl)cubane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 244.2
[M+Na]+ 297.15734 241.5
[M-H]- 273.16084 247.3
[M+NH4]+ 292.20194 238.1
[M+K]+ 313.13128 246.7
[M+H-H2O]+ 257.16538 229.7
[M+HCOO]- 319.16632 243.4
[M+CH3COO]- 333.18197 268.7
[M+Na-2H]- 295.14279 233.2
[M]+ 274.16757 262.3
[M]- 274.16867 262.3
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.