CID 6445467

Brn 0590656

Structural Information

Molecular Formula
C28H29FN2O3
SMILES
C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)F)O)C4=CC=CC=C4
InChI
InChI=1S/C28H29FN2O3/c29-24-11-6-22(7-12-24)8-15-28(33)23-9-13-27(14-10-23)34-21-26(32)20-30-16-18-31(19-17-30)25-4-2-1-3-5-25/h1-15,26,32H,16-21H2/b15-8+
InChIKey
GQFLEEUXOBWBEM-OVCLIPMQSA-N
Compound name
(E)-3-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.21622 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.22350 214.0
[M+Na]+ 483.20544 215.5
[M-H]- 459.20894 219.0
[M+NH4]+ 478.25004 216.9
[M+K]+ 499.17938 207.9
[M+H-H2O]+ 443.21348 199.6
[M+HCOO]- 505.21442 225.0
[M+CH3COO]- 519.23007 231.3
[M+Na-2H]- 481.19089 211.0
[M]+ 460.21567 208.5
[M]- 460.21677 208.5
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

patents stripe