CID 369204

Nsc640910

Structural Information

Molecular Formula
C16H18I2N2O
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25I)C#N)I
InChI
InChI=1S/C16H18I2N2O/c1-6(2)20(7(3)4)12(21)14-8-9-13(5-19)10(8)16(14,18)11(13)15(9,14)17/h6-11H,1-4H3
InChIKey
ZQAYMOXEXYPXDC-UHFFFAOYSA-N
Compound name
4-cyano-2,6-diiodo-N,N-di(propan-2-yl)cubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.95087 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.95815 200.0
[M+Na]+ 530.94009 196.6
[M-H]- 506.94359 200.5
[M+NH4]+ 525.98469 195.5
[M+K]+ 546.91403 202.9
[M+H-H2O]+ 490.94813 189.2
[M+HCOO]- 552.94907 198.3
[M+CH3COO]- 566.96472 266.6
[M+Na-2H]- 528.92554 190.4
[M]+ 507.95032 211.3
[M]- 507.95142 211.3
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.