CID 3079231

2(3h)-benzoxazolone, 6-(4-(4-(2-methoxyphenyl)-1-piperazinyl)-1-oxobutyl)-3-methyl-

Structural Information

Molecular Formula
C23H27N3O4
SMILES
CN1C2=C(C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4OC)OC1=O
InChI
InChI=1S/C23H27N3O4/c1-24-18-10-9-17(16-22(18)30-23(24)28)20(27)7-5-11-25-12-14-26(15-13-25)19-6-3-4-8-21(19)29-2/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3
InChIKey
UYFOENPKWRFCLR-UHFFFAOYSA-N
Compound name
6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoyl]-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.20016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.207436 200.0
[M+Na]+ 432.189378 207.3
[M-H]- 408.192884 207.2
[M+NH4]+ 427.233983 207.5
[M+K]+ 448.163318 202.9
[M+H-H2O]+ 392.197420 188.5
[M+HCOO]- 454.198361 215.1
[M+CH3COO]- 468.214011 208.6
[M+Na-2H]- 430.174826 199.2
[M]+ 409.19961142 203.6
[M]- 409.20070858 203.6
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.