CID 3064529

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

Structural Information

Molecular Formula
C27H26N2O5
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CN4CCC(CC4)C5=CC=C(C=C5)O
InChI
InChI=1S/C27H26N2O5/c1-33-23-9-4-20(5-10-23)26(31)21-6-11-24-25(16-21)34-27(32)29(24)17-28-14-12-19(13-15-28)18-2-7-22(30)8-3-18/h2-11,16,19,30H,12-15,17H2,1H3
InChIKey
HHCOLQUAYHOFIM-UHFFFAOYSA-N
Compound name
3-[[4-(4-hydroxyphenyl)piperidin-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

458.18417 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.19145 210.6
[M+Na]+ 481.17339 217.2
[M-H]- 457.17689 221.1
[M+NH4]+ 476.21799 216.0
[M+K]+ 497.14733 212.3
[M+H-H2O]+ 441.18143 198.7
[M+HCOO]- 503.18237 225.2
[M+CH3COO]- 517.19802 218.4
[M+Na-2H]- 479.15884 209.0
[M]+ 458.18362 212.2
[M]- 458.18472 212.2
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.