CID 102572

N,n'-bis(beta-methylphenethyl)-1,4-cyclohexanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C26H38N2
SMILES
CC(CC1=CC=CC=C1)NCC2CCC(CC2)CNC(C)CC3=CC=CC=C3
InChI
InChI=1S/C26H38N2/c1-21(17-23-9-5-3-6-10-23)27-19-25-13-15-26(16-14-25)20-28-22(2)18-24-11-7-4-8-12-24/h3-12,21-22,25-28H,13-20H2,1-2H3
InChIKey
SDWHBZWGTBDAAV-UHFFFAOYSA-N
Compound name
1-phenyl-N-[[4-[(1-phenylpropan-2-ylamino)methyl]cyclohexyl]methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.3035 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.31078 197.4
[M+Na]+ 401.29272 195.4
[M-H]- 377.29622 203.9
[M+NH4]+ 396.33732 207.3
[M+K]+ 417.26666 189.6
[M+H-H2O]+ 361.30076 186.6
[M+HCOO]- 423.30170 214.6
[M+CH3COO]- 437.31735 227.3
[M+Na-2H]- 399.27817 196.3
[M]+ 378.30295 191.3
[M]- 378.30405 191.3
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.