CID 3087724

2(3h)-benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-phenyl-1-piperidinyl)methyl)-

Structural Information

Molecular Formula
C26H22Cl2N2O3
SMILES
C1CN(CCC1C2=CC=CC=C2)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC=CC=C5Cl)OC3=O
InChI
InChI=1S/C26H22Cl2N2O3/c27-21-9-5-4-8-19(21)25(31)20-14-24-23(15-22(20)28)30(26(32)33-24)16-29-12-10-18(11-13-29)17-6-2-1-3-7-17/h1-9,14-15,18H,10-13,16H2
InChIKey
DHPVRXOWOGOEFJ-UHFFFAOYSA-N
Compound name
5-chloro-6-(2-chlorobenzoyl)-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.10074 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.10802 215.1
[M+Na]+ 503.08996 224.4
[M-H]- 479.09346 225.7
[M+NH4]+ 498.13456 222.2
[M+K]+ 519.06390 216.8
[M+H-H2O]+ 463.09800 203.4
[M+HCOO]- 525.09894 221.6
[M+CH3COO]- 539.11459 223.1
[M+Na-2H]- 501.07541 212.5
[M]+ 480.10019 219.5
[M]- 480.10129 219.5
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.