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 181.0
[M+Na]+ 353.29272 180.0
[M-H]- 329.29622 187.4
[M+NH4]+ 348.33732 203.4
[M+K]+ 369.26666 175.0
[M+H-H2O]+ 313.30076 175.6
[M+HCOO]- 375.30170 195.3
[M+CH3COO]- 389.31735 188.7
[M+Na-2H]- 351.27817 174.5
[M]+ 330.30295 172.3
[M]- 330.30405 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.