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]+ 445.234676 203.9
[M+Na]+ 467.216618 204.0
[M-H]- 443.220124 210.6
[M+NH4]+ 462.261223 206.0
[M+K]+ 483.190558 197.6
[M+H-H2O]+ 427.224660 189.7
[M+HCOO]- 489.225601 220.4
[M+CH3COO]- 503.241251 208.8
[M+Na-2H]- 465.202066 207.5
[M]+ 444.22685142 197.3
[M]- 444.22794858 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.