CID 47788

65976-23-0

Structural Information

Molecular Formula
C22H26N2O2
SMILES
C=CC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O2/c1-2-22(25)19-9-11-21(12-10-19)26-18-6-13-23-14-16-24(17-15-23)20-7-4-3-5-8-20/h2-5,7-12H,1,6,13-18H2
InChIKey
QUUJGUNXBIQTFC-UHFFFAOYSA-N
Compound name
1-[4-[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

350.19943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.206706 187.3
[M+Na]+ 373.188648 190.3
[M-H]- 349.192154 192.3
[M+NH4]+ 368.233253 196.2
[M+K]+ 389.162588 184.5
[M+H-H2O]+ 333.196690 175.5
[M+HCOO]- 395.197631 202.8
[M+CH3COO]- 409.213281 213.7
[M+Na-2H]- 371.174096 187.8
[M]+ 350.19888142 184.4
[M]- 350.19997858 184.4
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.