CID 3060001

77562-94-8

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CC
InChI
InChI=1S/C18H29N3O/c1-4-18(22)21(17-9-7-6-8-10-17)16(3)15-20-13-11-19(5-2)12-14-20/h6-10,16H,4-5,11-15H2,1-3H3
InChIKey
KUBHNGQXTBGQCY-UHFFFAOYSA-N
Compound name
N-[1-(4-ethylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.23105 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.23833 176.4
[M+Na]+ 326.22027 186.4
[M+NH4]+ 321.26487 183.1
[M+K]+ 342.19421 180.1
[M-H]- 302.22377 179.5
[M+Na-2H]- 324.20572 182.0
[M]+ 303.23050 178.4
[M]- 303.23160 178.4
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.