CID 369191

Nsc640897

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C22H34N2O2/c1-9(2)23(10(3)4)19(25)21-13-16-14(21)18-15(21)17(13)22(16,18)20(26)24(11(5)6)12(7)8/h9-18H,1-8H3
InChIKey
AOAICZVPHIDOQP-UHFFFAOYSA-N
Compound name
1-N,1-N,4-N,4-N-tetra(propan-2-yl)cubane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

literature stripe

Patent stripe

patents stripe