CID 3070223

86002-64-4

Structural Information

Molecular Formula
C16H17N3
SMILES
CCN1C(CN=C1C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3/c1-2-19-15(13-6-4-3-5-7-13)12-18-16(19)14-8-10-17-11-9-14/h3-11,15H,2,12H2,1H3
InChIKey
PDSMGQPHKSYHJY-UHFFFAOYSA-N
Compound name
4-(1-ethyl-5-phenyl-4,5-dihydroimidazol-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 158.7
[M+Na]+ 274.131458 166.6
[M-H]- 250.134964 164.3
[M+NH4]+ 269.176063 173.1
[M+K]+ 290.105398 161.2
[M+H-H2O]+ 234.139500 148.1
[M+HCOO]- 296.140441 179.0
[M+CH3COO]- 310.156091 170.2
[M+Na-2H]- 272.116906 162.7
[M]+ 251.14169142 157.4
[M]- 251.14278858 157.4
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.