CID 68864

Midaglizole

Structural Information

Molecular Formula
C16H17N3
SMILES
C1CN=C(N1)CC(C2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14(12-16-18-10-11-19-16)15-8-4-5-9-17-15/h1-9,14H,10-12H2,(H,18,19)
InChIKey
TYZQFNOLWJGHRZ-UHFFFAOYSA-N
Compound name
2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

65
References

2253
Patents

251.14224 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 160.0
[M+Na]+ 274.13146 173.9
[M+NH4]+ 269.17606 168.1
[M+K]+ 290.10540 167.7
[M-H]- 250.13496 164.4
[M+Na-2H]- 272.11691 170.2
[M]+ 251.14169 163.2
[M]- 251.14279 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe