CID 3062967

2(3h)-benzoxazolone, 6-(2-chlorobenzoyl)-3-(1-piperidinylmethyl)-

Structural Information

Molecular Formula
C20H19ClN2O3
SMILES
C1CCN(CC1)CN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4Cl)OC2=O
InChI
InChI=1S/C20H19ClN2O3/c21-16-7-3-2-6-15(16)19(24)14-8-9-17-18(12-14)26-20(25)23(17)13-22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKey
RIPRKADGBIABAL-UHFFFAOYSA-N
Compound name
6-(2-chlorobenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10843 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11571 186.1
[M+Na]+ 393.09765 195.0
[M-H]- 369.10115 194.6
[M+NH4]+ 388.14225 197.5
[M+K]+ 409.07159 189.3
[M+H-H2O]+ 353.10569 176.2
[M+HCOO]- 415.10663 198.9
[M+CH3COO]- 429.12228 196.3
[M+Na-2H]- 391.08310 187.1
[M]+ 370.10788 188.8
[M]- 370.10898 188.8
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.