CID 9911952

220108-54-3

Structural Information

Molecular Formula
C18H14N2O
SMILES
C1[C@H](N=C(O1)C2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4
InChI
InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)17-12-21-18(20-17)16-11-10-14-8-4-5-9-15(14)19-16/h1-11,17H,12H2/t17-/m0/s1
InChIKey
OIFADUQNTPUCKK-KRWDZBQOSA-N
Compound name
(4R)-4-phenyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.11063 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11791 162.0
[M+Na]+ 297.09985 170.6
[M-H]- 273.10335 170.6
[M+NH4]+ 292.14445 176.3
[M+K]+ 313.07379 165.8
[M+H-H2O]+ 257.10789 152.1
[M+HCOO]- 319.10883 182.1
[M+CH3COO]- 333.12448 174.0
[M+Na-2H]- 295.08530 168.2
[M]+ 274.11008 161.6
[M]- 274.11118 161.6
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