CID 2734679

128249-70-7

Structural Information

Molecular Formula
C23H19N3O2
SMILES
C1[C@H](N=C(O1)C2=NC(=CC=C2)C3=N[C@@H](CO3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m0/s1
InChIKey
HLHBIMJNCKZZQO-SFTDATJTSA-N
Compound name
(4R)-4-phenyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

369.14774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 186.7
[M+Na]+ 392.13696 204.0
[M+NH4]+ 387.18156 194.7
[M+K]+ 408.11090 199.3
[M-H]- 368.14046 197.9
[M+Na-2H]- 390.12241 198.4
[M]+ 369.14719 192.6
[M]- 369.14829 192.6
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