CID 46198

63990-81-8

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C)O
InChI
InChI=1S/C16H24N2O3/c1-13(19)14-4-3-5-16(10-14)21-12-15(20)11-18-8-6-17(2)7-9-18/h3-5,10,15,20H,6-9,11-12H2,1-2H3
InChIKey
QPVHSPBASNBQGY-UHFFFAOYSA-N
Compound name
1-[3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 170.8
[M+Na]+ 315.16790 174.3
[M-H]- 291.17140 172.1
[M+NH4]+ 310.21250 182.2
[M+K]+ 331.14184 171.5
[M+H-H2O]+ 275.17594 161.5
[M+HCOO]- 337.17688 184.7
[M+CH3COO]- 351.19253 201.2
[M+Na-2H]- 313.15335 170.6
[M]+ 292.17813 168.5
[M]- 292.17923 168.5
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

No patent data available for this compound.