CID 3070501

Brn 5667972

Structural Information

Molecular Formula
C25H28N6O2
SMILES
C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C4=CC=CC=N4
InChI
InChI=1S/C25H28N6O2/c32-24(13-15-30-16-18-31(19-17-30)23-8-4-5-14-26-23)27-21-9-11-22(12-10-21)29-25(33)28-20-6-2-1-3-7-20/h1-12,14H,13,15-19H2,(H,27,32)(H2,28,29,33)
InChIKey
FTGKQVHDQBHHNA-UHFFFAOYSA-N
Compound name
N-[4-(phenylcarbamoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.2274 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.23468 208.1
[M+Na]+ 467.21662 219.4
[M+NH4]+ 462.26122 212.9
[M+K]+ 483.19056 212.0
[M-H]- 443.22012 215.3
[M+Na-2H]- 465.20207 217.9
[M]+ 444.22685 211.3
[M]- 444.22795 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.