CID 66916

104-69-8

Structural Information

Molecular Formula
C15H18N2
SMILES
C1=CC=C(C=C1)NCCCNC2=CC=CC=C2
InChI
InChI=1S/C15H18N2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKey
JQMRSZJEVQNIPB-UHFFFAOYSA-N
Compound name
N,N'-diphenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

368
Patents

226.147 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 154.2
[M+Na]+ 249.13622 167.5
[M+NH4]+ 244.18082 163.7
[M+K]+ 265.11016 158.1
[M-H]- 225.13972 160.8
[M+Na-2H]- 247.12167 165.0
[M]+ 226.14645 158.0
[M]- 226.14755 158.0
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