PubChemLite - (r,r)-2,6-bis(4-phenyl-2-oxazolin-2-yl)pyridine (C23H19N3O2)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	370.15502	185.1
[M+Na]+	392.13696	192.3
[M-H]-	368.14046	198.3
[M+NH4]+	387.18156	192.8
[M+K]+	408.11090	188.1
[M+H-H2O]+	352.14500	173.8
[M+HCOO]-	414.14594	203.2
[M+CH3COO]-	428.16159	195.2
[M+Na-2H]-	390.12241	185.1
[M]+	369.14719	184.6
[M]-	369.14829	184.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

370.15502

185.1

[M+Na]+

392.13696

192.3

[M-H]-

368.14046

198.3

[M+NH4]+

387.18156

192.8

[M+K]+

408.11090

188.1

[M+H-H2O]+

352.14500

173.8

[M+HCOO]-

414.14594

203.2

[M+CH3COO]-

428.16159

195.2

[M+Na-2H]-

390.12241

185.1

[M]+

369.14719

184.6

[M]-

369.14829

184.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(r,r)-2,6-bis(4-phenyl-2-oxazolin-2-yl)pyridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe