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]+ 373.17580 240.5
[M+Na]+ 395.15774 238.0
[M-H]- 371.16124 243.5
[M+NH4]+ 390.20234 235.0
[M+K]+ 411.13168 243.7
[M+H-H2O]+ 355.16578 227.5
[M+HCOO]- 417.16672 238.6
[M+CH3COO]- 431.18237 271.2
[M+Na-2H]- 393.14319 230.5
[M]+ 372.16797 256.6
[M]- 372.16907 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.