CID 369213

Nsc640919

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4C3C25C(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C22H34N2O2/c1-9(2)23(10(3)4)19(25)21-15-13-14-17(15)22(21,18(14)16(13)21)20(26)24(11(5)6)12(7)8/h9-18H,1-8H3
InChIKey
GJEVPNNDIBPZIY-UHFFFAOYSA-N
Compound name
1-N,1-N,2-N,2-N-tetra(propan-2-yl)cubane-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 262.6
[M+Na]+ 381.25124 258.3
[M-H]- 357.25474 265.5
[M+NH4]+ 376.29584 255.2
[M+K]+ 397.22518 264.0
[M+H-H2O]+ 341.25928 247.3
[M+HCOO]- 403.26022 260.2
[M+CH3COO]- 417.27587 274.9
[M+Na-2H]- 379.23669 248.8
[M]+ 358.26147 280.7
[M]- 358.26257 280.7
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.