CID 369182

Nsc640888

Structural Information

Molecular Formula
C17H19N3O
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4(C3C25C#N)C#N
InChI
InChI=1S/C17H19N3O/c1-7(2)20(8(3)4)14(21)17-10-9-11(17)13-15(9,5-18)12(10)16(13,17)6-19/h7-13H,1-4H3
InChIKey
JKMMPESTJKFHEJ-UHFFFAOYSA-N
Compound name
2,4-dicyano-N,N-di(propan-2-yl)cubane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 193.0
[M+Na]+ 304.14202 192.8
[M-H]- 280.14552 196.2
[M+NH4]+ 299.18662 190.1
[M+K]+ 320.11596 197.9
[M+H-H2O]+ 264.15006 182.1
[M+HCOO]- 326.15100 192.5
[M+CH3COO]- 340.16665 264.8
[M+Na-2H]- 302.12747 187.4
[M]+ 281.15225 203.1
[M]- 281.15335 203.1
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.