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]+ 331.310776 181.0
[M+Na]+ 353.292718 180.0
[M-H]- 329.296224 187.4
[M+NH4]+ 348.337323 203.4
[M+K]+ 369.266658 175.0
[M+H-H2O]+ 313.300760 175.6
[M+HCOO]- 375.301701 195.3
[M+CH3COO]- 389.317351 188.7
[M+Na-2H]- 351.278166 174.5
[M]+ 330.30295142 172.3
[M]- 330.30404858 172.3
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.