CID 3062968

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

Structural Information

Molecular Formula
C21H21ClN2O3
SMILES
CC1CCCCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4Cl)OC2=O
InChI
InChI=1S/C21H21ClN2O3/c1-14-6-4-5-11-23(14)13-24-18-10-9-15(12-19(18)27-21(24)26)20(25)16-7-2-3-8-17(16)22/h2-3,7-10,12,14H,4-6,11,13H2,1H3
InChIKey
RLSPJTXEUDXCER-UHFFFAOYSA-N
Compound name
6-(2-chlorobenzoyl)-3-[(2-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]+ 385.131356 191.2
[M+Na]+ 407.113298 200.5
[M-H]- 383.116804 199.9
[M+NH4]+ 402.157903 202.2
[M+K]+ 423.087238 194.6
[M+H-H2O]+ 367.121340 181.3
[M+HCOO]- 429.122281 203.5
[M+CH3COO]- 443.137931 201.2
[M+Na-2H]- 405.098746 190.8
[M]+ 384.12353142 194.6
[M]- 384.12462858 194.6
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.