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]+ 252.14952 158.7
[M+Na]+ 274.13146 166.6
[M-H]- 250.13496 164.3
[M+NH4]+ 269.17606 173.1
[M+K]+ 290.10540 161.2
[M+H-H2O]+ 234.13950 148.1
[M+HCOO]- 296.14044 179.0
[M+CH3COO]- 310.15609 170.2
[M+Na-2H]- 272.11691 162.7
[M]+ 251.14169 157.4
[M]- 251.14279 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.