CID 3041499

Brn 0423926

Structural Information

Molecular Formula
C16H26N4O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCN(CC2)C
InChI
InChI=1S/C16H26N4O/c1-4-16(21)20(15-7-5-6-8-17-15)14(2)13-19-11-9-18(3)10-12-19/h5-8,14H,4,9-13H2,1-3H3
InChIKey
VHJHOASTDAIXHS-UHFFFAOYSA-N
Compound name
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.21066 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21794 172.5
[M+Na]+ 313.19988 175.1
[M-H]- 289.20338 174.9
[M+NH4]+ 308.24448 183.5
[M+K]+ 329.17382 173.0
[M+H-H2O]+ 273.20792 161.6
[M+HCOO]- 335.20886 187.8
[M+CH3COO]- 349.22451 208.8
[M+Na-2H]- 311.18533 173.4
[M]+ 290.21011 169.8
[M]- 290.21121 169.8
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.