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]+ 304.238326 177.1
[M+Na]+ 326.220268 178.8
[M-H]- 302.223774 180.6
[M+NH4]+ 321.264873 189.1
[M+K]+ 342.194208 176.5
[M+H-H2O]+ 286.228310 166.8
[M+HCOO]- 348.229251 193.1
[M+CH3COO]- 362.244901 212.0
[M+Na-2H]- 324.205716 176.8
[M]+ 303.23050142 174.7
[M]- 303.23159858 174.7
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.