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
3
Annotation Hits

65
References

2534
Patents

251.14224 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 158.1
[M+Na]+ 274.131458 163.3
[M-H]- 250.134964 161.6
[M+NH4]+ 269.176063 171.0
[M+K]+ 290.105398 157.6
[M+H-H2O]+ 234.139500 147.5
[M+HCOO]- 296.140441 175.9
[M+CH3COO]- 310.156091 168.0
[M+Na-2H]- 272.116906 162.2
[M]+ 251.14169142 153.6
[M]- 251.14278858 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

literature stripe

Patent stripe

patents stripe