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]+ 306.21761 175.8
[M+Na]+ 328.19955 178.4
[M-H]- 304.20305 178.5
[M+NH4]+ 323.24415 187.2
[M+K]+ 344.17349 176.1
[M+H-H2O]+ 288.20759 166.2
[M+HCOO]- 350.20853 190.9
[M+CH3COO]- 364.22418 209.9
[M+Na-2H]- 326.18500 175.0
[M]+ 305.20978 173.0
[M]- 305.21088 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.