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]+ 275.175396 244.2
[M+Na]+ 297.157338 241.5
[M-H]- 273.160844 247.3
[M+NH4]+ 292.201943 238.1
[M+K]+ 313.131278 246.7
[M+H-H2O]+ 257.165380 229.7
[M+HCOO]- 319.166321 243.4
[M+CH3COO]- 333.181971 268.7
[M+Na-2H]- 295.142786 233.2
[M]+ 274.16757142 262.3
[M]- 274.16866858 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.