CID 39470

47233-87-4

Structural Information

Molecular Formula
C20H28N2
SMILES
CN(CCCCCCN(C)C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H28N2/c1-21(19-13-7-5-8-14-19)17-11-3-4-12-18-22(2)20-15-9-6-10-16-20/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3
InChIKey
PCPYJVBGRZDJLC-UHFFFAOYSA-N
Compound name
N,N'-dimethyl-N,N'-diphenylhexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

296.22525 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.232526 175.8
[M+Na]+ 319.214468 178.2
[M-H]- 295.217974 183.6
[M+NH4]+ 314.259073 191.1
[M+K]+ 335.188408 175.5
[M+H-H2O]+ 279.222510 166.0
[M+HCOO]- 341.223451 201.1
[M+CH3COO]- 355.239101 216.7
[M+Na-2H]- 317.199916 179.7
[M]+ 296.22470142 178.0
[M]- 296.22579858 178.0
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

patents stripe