CID 3064526

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

Structural Information

Molecular Formula
C27H25ClN2O3
SMILES
C1CN(CCC1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5Cl)OC3=O
InChI
InChI=1S/C27H25ClN2O3/c28-23-9-5-4-8-22(23)26(31)21-10-11-24-25(17-21)33-27(32)30(24)18-29-14-12-20(13-15-29)16-19-6-2-1-3-7-19/h1-11,17,20H,12-16,18H2
InChIKey
SWCDDKXRIMVLHM-UHFFFAOYSA-N
Compound name
3-[(4-benzylpiperidin-1-yl)methyl]-6-(2-chlorobenzoyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.15536 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.162636 213.0
[M+Na]+ 483.144578 220.5
[M-H]- 459.148084 223.9
[M+NH4]+ 478.189183 219.9
[M+K]+ 499.118518 213.3
[M+H-H2O]+ 443.152620 200.7
[M+HCOO]- 505.153561 224.1
[M+CH3COO]- 519.169211 220.9
[M+Na-2H]- 481.130026 211.2
[M]+ 460.15481142 215.5
[M]- 460.15590858 215.5
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.