CID 3076060

Brn 4204068

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]+ 339.20671 183.9
[M+Na]+ 361.18865 186.6
[M-H]- 337.19215 188.0
[M+NH4]+ 356.23325 192.9
[M+K]+ 377.16259 181.3
[M+H-H2O]+ 321.19669 173.0
[M+HCOO]- 383.19763 197.2
[M+CH3COO]- 397.21328 209.4
[M+Na-2H]- 359.17410 183.6
[M]+ 338.19888 179.1
[M]- 338.19998 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.