CID 71063

1240-90-0

Structural Information

Molecular Formula
C22H38N2
SMILES
C1CC(CCC1CNC2CC3CCC2C3)CNC4CC5CCC4C5
InChI
InChI=1S/C22H38N2/c1-2-16(14-24-22-12-18-6-8-20(22)10-18)4-3-15(1)13-23-21-11-17-5-7-19(21)9-17/h15-24H,1-14H2
InChIKey
CLWQKZRTLUNTLZ-UHFFFAOYSA-N
Compound name
N-[[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexyl]methyl]bicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.31078 182.9
[M+Na]+ 353.29272 186.1
[M+NH4]+ 348.33732 193.2
[M+K]+ 369.26666 186.0
[M-H]- 329.29622 187.2
[M+Na-2H]- 351.27817 181.2
[M]+ 330.30295 184.0
[M]- 330.30405 184.0
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.