CID 3022195

Brn 0548952

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CCC(=O)N(C1=CC=C(C=C1)O)C(C)CN2CCN(CC2)C
InChI
InChI=1S/C17H27N3O2/c1-4-17(22)20(15-5-7-16(21)8-6-15)14(2)13-19-11-9-18(3)10-12-19/h5-8,14,21H,4,9-13H2,1-3H3
InChIKey
OKGPEZVIAGJWFI-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21033 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.217606 175.8
[M+Na]+ 328.199548 178.4
[M-H]- 304.203054 178.5
[M+NH4]+ 323.244153 187.2
[M+K]+ 344.173488 176.1
[M+H-H2O]+ 288.207590 166.2
[M+HCOO]- 350.208531 190.9
[M+CH3COO]- 364.224181 209.9
[M+Na-2H]- 326.184996 175.0
[M]+ 305.20978142 173.0
[M]- 305.21087858 173.0
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.