CID 3040688

Brn 0826333

Structural Information

Molecular Formula
C20H25N3O
SMILES
CN1CCN(CC1)C(=O)CCN(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O/c1-21-14-16-22(17-15-21)20(24)12-13-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3
InChIKey
XYFOCXQJXGMLRG-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-3-(N-phenylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 180.0
[M+Na]+ 346.18899 193.0
[M+NH4]+ 341.23359 187.7
[M+K]+ 362.16293 184.8
[M-H]- 322.19249 186.1
[M+Na-2H]- 344.17444 189.5
[M]+ 323.19922 183.5
[M]- 323.20032 183.5
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.