CID 6857989

106063-74-5

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCC(CN3CCN(CC3)C)O
InChI
InChI=1S/C24H30N2O4/c1-19(27)24(16-20-8-4-3-5-9-20)30-23-11-7-6-10-22(23)29-18-21(28)17-26-14-12-25(2)13-15-26/h3-11,16,21,28H,12-15,17-18H2,1-2H3/b24-16-
InChIKey
JPNVKTIHXHTHRH-JLPGSUDCSA-N
Compound name
(Z)-3-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 200.9
[M+Na]+ 433.209768 201.7
[M-H]- 409.213274 204.4
[M+NH4]+ 428.254373 206.4
[M+K]+ 449.183708 197.3
[M+H-H2O]+ 393.217810 189.2
[M+HCOO]- 455.218751 212.6
[M+CH3COO]- 469.234401 222.6
[M+Na-2H]- 431.195216 198.1
[M]+ 410.22000142 198.5
[M]- 410.22109858 198.5
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.