CID 86844

1,3-diphenylpropane-1,3-diamine

Structural Information

Molecular Formula
C15H18N2
SMILES
C1=CC=C(C=C1)C(CC(C2=CC=CC=C2)N)N
InChI
InChI=1S/C15H18N2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10,14-15H,11,16-17H2
InChIKey
ILDQIFPNBGCLRH-UHFFFAOYSA-N
Compound name
1,3-diphenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

226.147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 153.4
[M+Na]+ 249.136218 157.3
[M-H]- 225.139724 158.5
[M+NH4]+ 244.180823 169.7
[M+K]+ 265.110158 153.4
[M+H-H2O]+ 209.144260 145.6
[M+HCOO]- 271.145201 176.3
[M+CH3COO]- 285.160851 195.3
[M+Na-2H]- 247.121666 157.2
[M]+ 226.14645142 148.2
[M]- 226.14754858 148.2
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