CID 3061347

Brn 4545677

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)C)O)C(=O)C
InChI
InChI=1S/C19H28N2O4/c1-4-18(24)15-5-6-19(17(11-15)14(2)22)25-13-16(23)12-21-9-7-20(3)8-10-21/h5-6,11,16,23H,4,7-10,12-13H2,1-3H3
InChIKey
CVHRCIUWGSMYQM-UHFFFAOYSA-N
Compound name
1-[3-acetyl-4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2049 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 184.7
[M+Na]+ 371.19412 187.7
[M-H]- 347.19762 186.0
[M+NH4]+ 366.23872 193.9
[M+K]+ 387.16806 184.9
[M+H-H2O]+ 331.20216 175.3
[M+HCOO]- 393.20310 197.0
[M+CH3COO]- 407.21875 213.7
[M+Na-2H]- 369.17957 181.4
[M]+ 348.20435 184.1
[M]- 348.20545 184.1
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.