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]+ 262.13388 159.2
[M+Na]+ 284.11582 166.2
[M-H]- 260.11932 167.2
[M+NH4]+ 279.16042 173.2
[M+K]+ 300.08976 160.0
[M+H-H2O]+ 244.12386 149.5
[M+HCOO]- 306.12480 184.0
[M+CH3COO]- 320.14045 170.8
[M+Na-2H]- 282.10127 166.9
[M]+ 261.12605 155.7
[M]- 261.12715 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.