CID 3063183

Benzamide, 2-hydroxy-5-(5-(4-(2-methoxyphenyl)-1-piperazinyl)-1-oxopentyl)-

Structural Information

Molecular Formula
C23H29N3O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCC(=O)C3=CC(=C(C=C3)O)C(=O)N
InChI
InChI=1S/C23H29N3O4/c1-30-22-8-3-2-6-19(22)26-14-12-25(13-15-26)11-5-4-7-20(27)17-9-10-21(28)18(16-17)23(24)29/h2-3,6,8-10,16,28H,4-5,7,11-15H2,1H3,(H2,24,29)
InChIKey
VGXWASMZTLXMGX-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

411.21582 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22310 201.0
[M+Na]+ 434.20504 203.5
[M-H]- 410.20854 204.9
[M+NH4]+ 429.24964 206.6
[M+K]+ 450.17898 198.6
[M+H-H2O]+ 394.21308 189.6
[M+HCOO]- 456.21402 214.5
[M+CH3COO]- 470.22967 226.8
[M+Na-2H]- 432.19049 198.1
[M]+ 411.21527 198.3
[M]- 411.21637 198.3
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

patents stripe