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]+ 464.191506 273.6
[M+Na]+ 486.173448 268.7
[M-H]- 462.176954 275.9
[M+NH4]+ 481.218053 266.2
[M+K]+ 502.147388 274.1
[M+H-H2O]+ 446.181490 261.7
[M+HCOO]- 508.182431 270.1
[M+CH3COO]- 522.198081 275.4
[M+Na-2H]- 484.158896 260.4
[M]+ 463.18368142 293.2
[M]- 463.18477858 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.