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 203.9
[M+Na]+ 467.21662 204.0
[M-H]- 443.22012 210.6
[M+NH4]+ 462.26122 206.0
[M+K]+ 483.19056 197.6
[M+H-H2O]+ 427.22466 189.7
[M+HCOO]- 489.22560 220.4
[M+CH3COO]- 503.24125 208.8
[M+Na-2H]- 465.20207 207.5
[M]+ 444.22685 197.3
[M]- 444.22795 197.3
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.