CID 3025592

104373-82-2

Structural Information

Molecular Formula
C20H25N5O2
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C20H25N5O2/c1-16(26)22-17-5-7-18(8-6-17)23-20(27)9-11-24-12-14-25(15-13-24)19-4-2-3-10-21-19/h2-8,10H,9,11-15H2,1H3,(H,22,26)(H,23,27)
InChIKey
BDQUHBUAVXYYNE-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.20084 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.208116 188.7
[M+Na]+ 390.190058 190.8
[M-H]- 366.193564 192.9
[M+NH4]+ 385.234663 195.1
[M+K]+ 406.163998 185.7
[M+H-H2O]+ 350.198100 176.3
[M+HCOO]- 412.199041 204.8
[M+CH3COO]- 426.214691 220.4
[M+Na-2H]- 388.175506 191.0
[M]+ 367.20029142 183.8
[M]- 367.20138858 183.8
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.