CID 3078637

122027-55-8

Structural Information

Molecular Formula
C16H15N3
SMILES
C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CC=CC=N3
InChI
InChI=1S/C16H15N3/c1-2-6-13(7-3-1)15(10-14-11-17-12-19-14)16-8-4-5-9-18-16/h1-9,11-12,15H,10H2,(H,17,19)
InChIKey
LSWUZXAGBNEFTE-UHFFFAOYSA-N
Compound name
2-[2-(1H-imidazol-5-yl)-1-phenylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 156.7
[M+Na]+ 272.11582 163.0
[M-H]- 248.11932 160.7
[M+NH4]+ 267.16042 169.8
[M+K]+ 288.08976 157.0
[M+H-H2O]+ 232.12386 146.2
[M+HCOO]- 294.12480 176.0
[M+CH3COO]- 308.14045 167.2
[M+Na-2H]- 270.10127 161.9
[M]+ 249.12605 153.6
[M]- 249.12715 153.6
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.