CID 422795

Pyridine, 3-amino-4-(4-biphenylylamino)-, dihydrochloride

Structural Information

Molecular Formula
C17H15N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=C(C=NC=C3)N
InChI
InChI=1S/C17H15N3/c18-16-12-19-11-10-17(16)20-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,18H2,(H,19,20)
InChIKey
CKHKIIWBIJPAOP-UHFFFAOYSA-N
Compound name
4-N-(4-phenylphenyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1266 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.133876 159.2
[M+Na]+ 284.115818 166.2
[M-H]- 260.119324 167.2
[M+NH4]+ 279.160423 173.2
[M+K]+ 300.089758 160.0
[M+H-H2O]+ 244.123860 149.5
[M+HCOO]- 306.124801 184.0
[M+CH3COO]- 320.140451 170.8
[M+Na-2H]- 282.101266 166.9
[M]+ 261.12605142 155.7
[M]- 261.12714858 155.7
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.