CID 214432

33161-88-5

Structural Information

Molecular Formula
C21H23N3O
SMILES
CN1CCN(CC1)CC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c1-23-12-14-24(15-13-23)16-19-22-20(17-8-4-2-5-9-17)21(25-19)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3
InChIKey
BNDMBTLTLIEVKV-UHFFFAOYSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]-4,5-diphenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.1841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 181.7
[M+Na]+ 356.17332 187.5
[M-H]- 332.17682 190.2
[M+NH4]+ 351.21792 190.7
[M+K]+ 372.14726 182.2
[M+H-H2O]+ 316.18136 169.5
[M+HCOO]- 378.18230 197.8
[M+CH3COO]- 392.19795 190.9
[M+Na-2H]- 354.15877 182.6
[M]+ 333.18355 178.8
[M]- 333.18465 178.8
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