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
2
Annotation Hits

0
References

135
Patents

268.19394 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 167.0
[M+Na]+ 291.183158 169.6
[M-H]- 267.186664 171.4
[M+NH4]+ 286.227763 181.5
[M+K]+ 307.157098 164.9
[M+H-H2O]+ 251.191200 158.5
[M+HCOO]- 313.192141 188.8
[M+CH3COO]- 327.207791 204.3
[M+Na-2H]- 289.168606 169.2
[M]+ 268.19339142 162.8
[M]- 268.19448858 162.8
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