CID 3070226

1-isopropyl-2-(4-pyridyl)-5-phenylimidazoline

Structural Information

Molecular Formula
C17H19N3
SMILES
CC(C)N1C(CN=C1C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3/c1-13(2)20-16(14-6-4-3-5-7-14)12-19-17(20)15-8-10-18-11-9-15/h3-11,13,16H,12H2,1-2H3
InChIKey
PYPPISZIYTWBLF-UHFFFAOYSA-N
Compound name
4-(5-phenyl-1-propan-2-yl-4,5-dihydroimidazol-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.165176 163.2
[M+Na]+ 288.147118 170.4
[M-H]- 264.150624 168.8
[M+NH4]+ 283.191723 177.0
[M+K]+ 304.121058 165.2
[M+H-H2O]+ 248.155160 152.6
[M+HCOO]- 310.156101 182.2
[M+CH3COO]- 324.171751 174.1
[M+Na-2H]- 286.132566 165.6
[M]+ 265.15735142 161.7
[M]- 265.15844858 161.7
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.