CID 214427

Brn 1222094

Structural Information

Molecular Formula
C20H20N2O
SMILES
C1CCN(C1)CC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2O/c1-3-9-16(10-4-1)19-20(17-11-5-2-6-12-17)23-18(21-19)15-22-13-7-8-14-22/h1-6,9-12H,7-8,13-15H2
InChIKey
RYLAISNDFIIJQB-UHFFFAOYSA-N
Compound name
4,5-diphenyl-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.15756 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 170.7
[M+Na]+ 327.14678 177.0
[M-H]- 303.15028 181.3
[M+NH4]+ 322.19138 184.3
[M+K]+ 343.12072 172.7
[M+H-H2O]+ 287.15482 160.8
[M+HCOO]- 349.15576 191.1
[M+CH3COO]- 363.17141 181.9
[M+Na-2H]- 325.13223 171.3
[M]+ 304.15701 169.2
[M]- 304.15811 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe