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]+ 461.16264 213.0
[M+Na]+ 483.14458 220.5
[M-H]- 459.14808 223.9
[M+NH4]+ 478.18918 219.9
[M+K]+ 499.11852 213.3
[M+H-H2O]+ 443.15262 200.7
[M+HCOO]- 505.15356 224.1
[M+CH3COO]- 519.16921 220.9
[M+Na-2H]- 481.13003 211.2
[M]+ 460.15481 215.5
[M]- 460.15591 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.