CID 13730236

Brn 4211482

Structural Information

Molecular Formula
C23H30N2O4
SMILES
COC1=CC(=C(C=C1)O)C(CCC(=O)N2CCN(CC2)CCO)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O4/c1-29-19-7-9-22(27)21(17-19)20(18-5-3-2-4-6-18)8-10-23(28)25-13-11-24(12-14-25)15-16-26/h2-7,9,17,20,26-27H,8,10-16H2,1H3
InChIKey
UYQCDULDLMDPFU-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-hydroxy-5-methoxyphenyl)-4-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 198.4
[M+Na]+ 421.20977 200.1
[M-H]- 397.21327 201.1
[M+NH4]+ 416.25437 204.2
[M+K]+ 437.18371 195.2
[M+H-H2O]+ 381.21781 187.2
[M+HCOO]- 443.21875 209.8
[M+CH3COO]- 457.23440 218.5
[M+Na-2H]- 419.19522 196.1
[M]+ 398.22000 195.6
[M]- 398.22110 195.6
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.