CID 369189

Nsc640895

Structural Information

Molecular Formula
C22H30N2O6
SMILES
CC(C)(C)N(C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)N(C)C(C)(C)C)C(=O)O)C(=O)O
InChI
InChI=1S/C22H30N2O6/c1-17(2,3)23(7)13(25)19-9-11-20(14(26)24(8)18(4,5)6)12(21(11,19)15(27)28)10(19)22(9,20)16(29)30/h9-12H,1-8H3,(H,27,28)(H,29,30)
InChIKey
YYFHMPLUGBQWON-UHFFFAOYSA-N
Compound name
2,7-bis[tert-butyl(methyl)carbamoyl]cubane-1,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2104 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.21768 276.1
[M+Na]+ 441.19962 271.3
[M-H]- 417.20312 278.1
[M+NH4]+ 436.24422 268.5
[M+K]+ 457.17356 276.7
[M+H-H2O]+ 401.20766 263.1
[M+HCOO]- 463.20860 272.0
[M+CH3COO]- 477.22425 274.3
[M+Na-2H]- 439.18507 263.4
[M]+ 418.20985 294.2
[M]- 418.21095 294.2
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.