CID 3048380

N,n'-dicyclohexylhexahydro-4,7-methano-2,5-bis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C24H36N2
SMILES
C1CCC(CC1)NCC2CC3=C(C2)C4=C(C=C3C4)CNC5CCCCC5
InChI
InChI=1S/C24H36N2/c1-3-7-20(8-4-1)25-15-17-11-22-18-13-19(23(14-18)24(22)12-17)16-26-21-9-5-2-6-10-21/h13,17,20-21,25-26H,1-12,14-16H2
InChIKey
GJBOEYRICLZSFG-UHFFFAOYSA-N
Compound name
N-[[8-[(cyclohexylamino)methyl]-4-tricyclo[5.2.1.02,6]deca-1(9),2(6),7-trienyl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.28784 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.29512 184.1
[M+Na]+ 375.27706 184.2
[M-H]- 351.28056 192.0
[M+NH4]+ 370.32166 203.5
[M+K]+ 391.25100 177.9
[M+H-H2O]+ 335.28510 177.0
[M+HCOO]- 397.28604 200.1
[M+CH3COO]- 411.30169 192.0
[M+Na-2H]- 373.26251 179.9
[M]+ 352.28729 176.0
[M]- 352.28839 176.0
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.