CID 386911

Nsc679812

Structural Information

Molecular Formula
C23H29NO9
SMILES
CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C23H29NO9/c1-9(2)24(10(3)4)14(25)23-20(16(27)31-6)11-19(15(26)30-5)12(20)22(23,18(29)33-8)13(19)21(11,23)17(28)32-7/h9-13H,1-8H3
InChIKey
GUEHEIILPKODKU-UHFFFAOYSA-N
Compound name
tetramethyl 2-[di(propan-2-yl)carbamoyl]cubane-1,3,5,7-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.18423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.19151 273.6
[M+Na]+ 486.17345 268.7
[M-H]- 462.17695 275.9
[M+NH4]+ 481.21805 266.2
[M+K]+ 502.14739 274.1
[M+H-H2O]+ 446.18149 261.7
[M+HCOO]- 508.18243 270.1
[M+CH3COO]- 522.19808 275.4
[M+Na-2H]- 484.15890 260.4
[M]+ 463.18368 293.2
[M]- 463.18478 293.2
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.