CID 71139

Milverine

Structural Information

Molecular Formula
C20H20N2
SMILES
C1=CC=C(C=C1)C(CCNC2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-12,14-15,20H,13,16H2,(H,21,22)
InChIKey
KMZHYAUKFHLFNY-UHFFFAOYSA-N
Compound name
N-(3,3-diphenylpropyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

74
Patents

288.16266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16994 168.6
[M+Na]+ 311.15188 172.7
[M-H]- 287.15538 175.7
[M+NH4]+ 306.19648 181.2
[M+K]+ 327.12582 166.7
[M+H-H2O]+ 271.15992 158.1
[M+HCOO]- 333.16086 190.8
[M+CH3COO]- 347.17651 178.7
[M+Na-2H]- 309.13733 175.4
[M]+ 288.16211 166.1
[M]- 288.16321 166.1
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.