CID 369194

Nsc640900

Structural Information

Molecular Formula
C30H42N2O4
SMILES
CC(C)(C)C(=O)C12C3C4(C1C5(C4C3(C25C(=O)N(C)C(C)(C)C)C(=O)C(C)(C)C)C(=O)C(C)(C)C)C#N
InChI
InChI=1S/C30H42N2O4/c1-22(2,3)18(33)27-15-26(14-31)16(27)29(20(35)24(7,8)9)17(26)28(15,19(34)23(4,5)6)30(27,29)21(36)32(13)25(10,11)12/h15-17H,1-13H3
InChIKey
HQDKXNCUPHCQJA-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N-methylcubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.31445 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.32173 267.1
[M+Na]+ 517.30367 264.1
[M-H]- 493.30717 269.8
[M+NH4]+ 512.34827 261.1
[M+K]+ 533.27761 268.9
[M+H-H2O]+ 477.31171 256.0
[M+HCOO]- 539.31265 262.6
[M+CH3COO]- 553.32830 276.6
[M+Na-2H]- 515.28912 256.5
[M]+ 494.31390 282.4
[M]- 494.31500 282.4
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.