CID 3078636

122027-54-7

Structural Information

Molecular Formula
C16H15N3
SMILES
C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CN=CC=C3
InChI
InChI=1S/C16H15N3/c1-2-5-13(6-3-1)16(9-15-11-18-12-19-15)14-7-4-8-17-10-14/h1-8,10-12,16H,9H2,(H,18,19)
InChIKey
FNTVGFWNSZPDQN-UHFFFAOYSA-N
Compound name
3-[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]+ 250.133876 156.7
[M+Na]+ 272.115818 163.0
[M-H]- 248.119324 160.7
[M+NH4]+ 267.160423 169.8
[M+K]+ 288.089758 157.0
[M+H-H2O]+ 232.123860 146.2
[M+HCOO]- 294.124801 176.0
[M+CH3COO]- 308.140451 167.2
[M+Na-2H]- 270.101266 161.9
[M]+ 249.12605142 153.6
[M]- 249.12714858 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.