CID 3062969

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

Structural Information

Molecular Formula
C21H21ClN2O3
SMILES
CC1CCN(CC1)CN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4Cl)OC2=O
InChI
InChI=1S/C21H21ClN2O3/c1-14-8-10-23(11-9-14)13-24-18-7-6-15(12-19(18)27-21(24)26)20(25)16-4-2-3-5-17(16)22/h2-7,12,14H,8-11,13H2,1H3
InChIKey
XLCMLEXKIQIMFC-UHFFFAOYSA-N
Compound name
6-(2-chlorobenzoyl)-3-[(4-methylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.12408 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13136 188.8
[M+Na]+ 407.11330 205.3
[M+NH4]+ 402.15790 196.4
[M+K]+ 423.08724 198.8
[M-H]- 383.11680 195.3
[M+Na-2H]- 405.09875 196.0
[M]+ 384.12353 193.4
[M]- 384.12463 193.4
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.