CID 369214

Nsc640920

Structural Information

Molecular Formula
C23H33N3O2
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5(C4C3C25C(=O)N(C(C)C)C(C)C)C#N
InChI
InChI=1S/C23H33N3O2/c1-10(2)25(11(3)4)19(27)22-16-14-15-17(16)23(22,21(15,9-24)18(14)22)20(28)26(12(5)6)13(7)8/h10-18H,1-8H3
InChIKey
IWZOZEDYLBRHMM-UHFFFAOYSA-N
Compound name
3-cyano-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

383.25726 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.26454 250.1
[M+Na]+ 406.24648 246.6
[M-H]- 382.24998 253.0
[M+NH4]+ 401.29108 243.9
[M+K]+ 422.22042 252.9
[M+H-H2O]+ 366.25452 235.3
[M+HCOO]- 428.25546 247.6
[M+CH3COO]- 442.27111 274.6
[M+Na-2H]- 404.23193 238.0
[M]+ 383.25671 265.0
[M]- 383.25781 265.0
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.