CID 51836

5-chloro-3-(phenyl-1-piperidinylmethyl)-2(3h)-benzoxazolone

Structural Information

Molecular Formula
C19H19ClN2O2
SMILES
C1CCN(CC1)C(C2=CC=CC=C2)N3C4=C(C=CC(=C4)Cl)OC3=O
InChI
InChI=1S/C19H19ClN2O2/c20-15-9-10-17-16(13-15)22(19(23)24-17)18(14-7-3-1-4-8-14)21-11-5-2-6-12-21/h1,3-4,7-10,13,18H,2,5-6,11-12H2
InChIKey
CTPTUJYOIALGAE-UHFFFAOYSA-N
Compound name
5-chloro-3-[phenyl(piperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1135 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12078 179.2
[M+Na]+ 365.10272 187.5
[M-H]- 341.10622 187.4
[M+NH4]+ 360.14732 191.6
[M+K]+ 381.07666 181.9
[M+H-H2O]+ 325.11076 169.2
[M+HCOO]- 387.11170 191.9
[M+CH3COO]- 401.12735 189.6
[M+Na-2H]- 363.08817 181.2
[M]+ 342.11295 180.4
[M]- 342.11405 180.4
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.