CID 3087723

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

Structural Information

Molecular Formula
C26H22Cl2N2O4
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC=CC=C5Cl)OC3=O
InChI
InChI=1S/C26H22Cl2N2O4/c27-20-9-5-4-8-18(20)24(31)19-14-23-22(15-21(19)28)30(25(32)34-23)16-29-12-10-26(33,11-13-29)17-6-2-1-3-7-17/h1-9,14-15,33H,10-13,16H2
InChIKey
BPTVZIMBAZGGPT-UHFFFAOYSA-N
Compound name
5-chloro-6-(2-chlorobenzoyl)-3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.09567 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.10295 215.2
[M+Na]+ 519.08489 224.9
[M-H]- 495.08839 225.1
[M+NH4]+ 514.12949 223.0
[M+K]+ 535.05883 217.9
[M+H-H2O]+ 479.09293 204.0
[M+HCOO]- 541.09387 220.6
[M+CH3COO]- 555.10952 223.0
[M+Na-2H]- 517.07034 213.8
[M]+ 496.09512 219.7
[M]- 496.09622 219.7
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.