CID 215711

Brn 0569964

Structural Information

Molecular Formula
C23H28N2O3
SMILES
C1CC1C(=O)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C23H28N2O3/c26-21(16-24-12-14-25(15-13-24)20-4-2-1-3-5-20)17-28-22-10-8-19(9-11-22)23(27)18-6-7-18/h1-5,8-11,18,21,26H,6-7,12-17H2
InChIKey
ZXJRQLASYSPYHW-UHFFFAOYSA-N
Compound name
cyclopropyl-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 195.0
[M+Na]+ 403.19922 208.6
[M+NH4]+ 398.24382 202.0
[M+K]+ 419.17316 202.6
[M-H]- 379.20272 206.9
[M+Na-2H]- 401.18467 205.0
[M]+ 380.20945 201.3
[M]- 380.21055 201.3
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.