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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.