CID 71671599

N-[(4-cyanophenyl)methyl]-6-(piperazin-1-yl)hexanamide dihydrochloride

Structural Information

Molecular Formula
C18H26N4O
SMILES
C1CN(CCN1)CCCCCC(=O)NCC2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H26N4O/c19-14-16-5-7-17(8-6-16)15-21-18(23)4-2-1-3-11-22-12-9-20-10-13-22/h5-8,20H,1-4,9-13,15H2,(H,21,23)
InChIKey
IFPDPLZEDHHFGI-UHFFFAOYSA-N
Compound name
N-[(4-cyanophenyl)methyl]-6-piperazin-1-ylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.21066 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21794 174.8
[M+Na]+ 337.19988 178.5
[M-H]- 313.20338 174.2
[M+NH4]+ 332.24448 183.5
[M+K]+ 353.17382 172.4
[M+H-H2O]+ 297.20792 158.3
[M+HCOO]- 359.20886 186.6
[M+CH3COO]- 373.22451 216.1
[M+Na-2H]- 335.18533 175.9
[M]+ 314.21011 164.9
[M]- 314.21121 164.9
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.