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 212.3
[M+Na]+ 479.19412 218.3
[M-H]- 455.19762 223.4
[M+NH4]+ 474.23872 218.3
[M+K]+ 495.16806 213.0
[M+H-H2O]+ 439.20216 199.7
[M+HCOO]- 501.20310 227.9
[M+CH3COO]- 515.21875 220.1
[M+Na-2H]- 477.17957 210.8
[M]+ 456.20435 213.9
[M]- 456.20545 213.9
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.