CID 3087344

5-((4-(diphenylmethyl)-1-piperazinyl)methyl)-2-oxazolidinone dihydrochloride

Structural Information

Molecular Formula
C21H25N3O2
SMILES
C1CN(CCN1CC2CNC(=O)O2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H25N3O2/c25-21-22-15-19(26-21)16-23-11-13-24(14-12-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,22,25)
InChIKey
CQRNLXGLYJUTRY-UHFFFAOYSA-N
Compound name
5-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.19467 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.201946 185.2
[M+Na]+ 374.183888 187.3
[M-H]- 350.187394 191.4
[M+NH4]+ 369.228493 192.0
[M+K]+ 390.157828 182.2
[M+H-H2O]+ 334.191930 173.1
[M+HCOO]- 396.192871 196.3
[M+CH3COO]- 410.208521 192.1
[M+Na-2H]- 372.169336 183.5
[M]+ 351.19412142 177.4
[M]- 351.19521858 177.4
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