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]+ 371.115706 186.1
[M+Na]+ 393.097648 195.0
[M-H]- 369.101154 194.6
[M+NH4]+ 388.142253 197.5
[M+K]+ 409.071588 189.3
[M+H-H2O]+ 353.105690 176.2
[M+HCOO]- 415.106631 198.9
[M+CH3COO]- 429.122281 196.3
[M+Na-2H]- 391.083096 187.1
[M]+ 370.10788142 188.8
[M]- 370.10897858 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.