CID 369217

Nsc640923

Structural Information

Molecular Formula
C26H38N2O6
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)N(C(C)C)C(C)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C26H38N2O6/c1-11(2)27(12(3)4)19(29)23-15-17-24(20(30)28(13(5)6)14(7)8)18(25(17,23)21(31)33-9)16(23)26(15,24)22(32)34-10/h11-18H,1-10H3
InChIKey
VROYESPOQMBPCW-UHFFFAOYSA-N
Compound name
dimethyl 2,7-bis[di(propan-2-yl)carbamoyl]cubane-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.27298 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.28026 285.0
[M+Na]+ 497.26220 279.1
[M-H]- 473.26570 287.1
[M+NH4]+ 492.30680 276.7
[M+K]+ 513.23614 285.0
[M+H-H2O]+ 457.27024 270.9
[M+HCOO]- 519.27118 280.7
[M+CH3COO]- 533.28683 279.2
[M+Na-2H]- 495.24765 269.2
[M]+ 474.27243 303.4
[M]- 474.27353 303.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.