CID 25228895

1247119-31-8

Structural Information

Molecular Formula
C18H24N2
SMILES
C1=CC=C(C=C1)C[C@@H](CC[C@H](CC2=CC=CC=C2)N)N
InChI
InChI=1S/C18H24N2/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,19-20H2/t17-,18-/m1/s1
InChIKey
CTVQBUFULGSGGL-QZTJIDSGSA-N
Compound name
(2R,5R)-1,6-diphenylhexane-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

268.19394 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 168.5
[M+Na]+ 291.18316 179.7
[M+NH4]+ 286.22776 176.9
[M+K]+ 307.15710 171.8
[M-H]- 267.18666 174.2
[M+Na-2H]- 289.16861 176.7
[M]+ 268.19339 171.6
[M]- 268.19449 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe