CID 369207

Nsc640913

Structural Information

Molecular Formula
C17H18IN3O
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25I)C#N)C#N
InChI
InChI=1S/C17H18IN3O/c1-7(2)21(8(3)4)13(22)16-9-10-14(5-19)11(9)17(16,18)12(14)15(10,16)6-20/h7-12H,1-4H3
InChIKey
HFMWFBCBSFJSHX-UHFFFAOYSA-N
Compound name
2,4-dicyano-6-iodo-N,N-di(propan-2-yl)cubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.04947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.05675 191.7
[M+Na]+ 430.03869 190.6
[M-H]- 406.04219 193.8
[M+NH4]+ 425.08329 188.7
[M+K]+ 446.01263 195.8
[M+H-H2O]+ 390.04673 181.5
[M+HCOO]- 452.04767 190.6
[M+CH3COO]- 466.06332 265.1
[M+Na-2H]- 428.02414 184.5
[M]+ 407.04892 200.9
[M]- 407.05002 200.9
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.