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]+ 410.20744 200.0
[M+Na]+ 432.18938 207.3
[M-H]- 408.19288 207.2
[M+NH4]+ 427.23398 207.5
[M+K]+ 448.16332 202.9
[M+H-H2O]+ 392.19742 188.5
[M+HCOO]- 454.19836 215.1
[M+CH3COO]- 468.21401 208.6
[M+Na-2H]- 430.17483 199.2
[M]+ 409.19961 203.6
[M]- 409.20071 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.