CID 3062976

2(3h)-benzoxazolone, 6-(4-methoxybenzoyl)-3-((4-(phenylmethyl)-1-piperidinyl)methyl)-

Structural Information

Molecular Formula
C28H28N2O4
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CN4CCC(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C28H28N2O4/c1-33-24-10-7-22(8-11-24)27(31)23-9-12-25-26(18-23)34-28(32)30(25)19-29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-12,18,21H,13-17,19H2,1H3
InChIKey
YNLFRICUBNNENP-UHFFFAOYSA-N
Compound name
3-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxybenzoyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2049 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.21218 211.7
[M+Na]+ 479.19412 228.1
[M+NH4]+ 474.23872 218.3
[M+K]+ 495.16806 221.1
[M-H]- 455.19762 220.2
[M+Na-2H]- 477.17957 220.4
[M]+ 456.20435 216.6
[M]- 456.20545 216.6
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

No patent data available for this compound.