CID 3062972

2(3h)-benzoxazolone, 6-(4-methoxybenzoyl)-3-(1-piperidinylmethyl)-

Structural Information

Molecular Formula
C21H22N2O4
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CN4CCCCC4
InChI
InChI=1S/C21H22N2O4/c1-26-17-8-5-15(6-9-17)20(24)16-7-10-18-19(13-16)27-21(25)23(18)14-22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3
InChIKey
YCBWJYFWGIWRQI-UHFFFAOYSA-N
Compound name
6-(4-methoxybenzoyl)-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 185.6
[M+Na]+ 389.14718 200.3
[M+NH4]+ 384.19178 192.3
[M+K]+ 405.12112 195.1
[M-H]- 365.15068 191.4
[M+Na-2H]- 387.13263 192.5
[M]+ 366.15741 189.3
[M]- 366.15851 189.3
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.