CID 3076060

129841-22-1

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=CC=CC=C3O
InChI
InChI=1S/C21H26N2O2/c1-22-13-15-23(16-14-22)21(25)12-11-18(17-7-3-2-4-8-17)19-9-5-6-10-20(19)24/h2-10,18,24H,11-16H2,1H3
InChIKey
AOBOJTYXSCIGJV-UHFFFAOYSA-N
Compound name
4-(2-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 183.9
[M+Na]+ 361.188648 186.6
[M-H]- 337.192154 188.0
[M+NH4]+ 356.233253 192.9
[M+K]+ 377.162588 181.3
[M+H-H2O]+ 321.196690 173.0
[M+HCOO]- 383.197631 197.2
[M+CH3COO]- 397.213281 209.4
[M+Na-2H]- 359.174096 183.6
[M]+ 338.19888142 179.1
[M]- 338.19997858 179.1
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.