CID 3040705

Brn 0820683

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 179.3
[M+Na]+ 346.188988 181.5
[M-H]- 322.192494 185.8
[M+NH4]+ 341.233593 189.7
[M+K]+ 362.162928 177.4
[M+H-H2O]+ 306.197030 167.5
[M+HCOO]- 368.197971 196.8
[M+CH3COO]- 382.213621 213.0
[M+Na-2H]- 344.174436 181.6
[M]+ 323.19922142 175.3
[M]- 323.20031858 175.3
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.