CID 369208

Nsc640914

Structural Information

Molecular Formula
C20H24N2O5
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25C(=O)OC)C#N)C(=O)OC
InChI
InChI=1S/C20H24N2O5/c1-8(2)22(9(3)4)14(23)20-10-11-17(7-21)12(10)19(20,16(25)27-6)13(17)18(11,20)15(24)26-5/h8-13H,1-6H3
InChIKey
NVBXUBMRPKIUAW-UHFFFAOYSA-N
Compound name
dimethyl 7-cyano-2-[di(propan-2-yl)carbamoyl]cubane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16852 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.175796 240.5
[M+Na]+ 395.157738 238.0
[M-H]- 371.161244 243.5
[M+NH4]+ 390.202343 235.0
[M+K]+ 411.131678 243.7
[M+H-H2O]+ 355.165780 227.5
[M+HCOO]- 417.166721 238.6
[M+CH3COO]- 431.182371 271.2
[M+Na-2H]- 393.143186 230.5
[M]+ 372.16797142 256.6
[M]- 372.16906858 256.6
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.