CID 6434768

63937-18-8

Structural Information

Molecular Formula
C28H30N2O3
SMILES
C1CN(CCN1CC(COC2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C28H30N2O3/c31-26(21-29-17-19-30(20-18-29)25-9-5-2-6-10-25)22-33-27-14-11-23(12-15-27)13-16-28(32)24-7-3-1-4-8-24/h1-16,26,31H,17-22H2/b16-13+
InChIKey
YWWWPDNCUYNBFG-DTQAZKPQSA-N
Compound name
(E)-3-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

442.22565 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.23293 210.0
[M+Na]+ 465.21487 210.5
[M-H]- 441.21837 216.0
[M+NH4]+ 460.25947 213.4
[M+K]+ 481.18881 203.4
[M+H-H2O]+ 425.22291 196.5
[M+HCOO]- 487.22385 222.1
[M+CH3COO]- 501.23950 214.9
[M+Na-2H]- 463.20032 208.4
[M]+ 442.22510 205.0
[M]- 442.22620 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe