CID 214431

1-((4,5-diphenyl-2-oxazolyl)methyl)piperazine monohydrochloride ethanol

Structural Information

Molecular Formula
C20H21N3O
SMILES
C1CN(CCN1)CC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O/c1-3-7-16(8-4-1)19-20(17-9-5-2-6-10-17)24-18(22-19)15-23-13-11-21-12-14-23/h1-10,21H,11-15H2
InChIKey
BHQCVXXRKOWALH-UHFFFAOYSA-N
Compound name
4,5-diphenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.16846 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17574 176.1
[M+Na]+ 342.15768 181.0
[M-H]- 318.16118 183.1
[M+NH4]+ 337.20228 184.8
[M+K]+ 358.13162 175.1
[M+H-H2O]+ 302.16572 164.3
[M+HCOO]- 364.16666 191.1
[M+CH3COO]- 378.18231 184.8
[M+Na-2H]- 340.14313 178.1
[M]+ 319.16791 170.8
[M]- 319.16901 170.8
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