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]+ 368.20812 189.0
[M+Na]+ 390.19006 199.8
[M+NH4]+ 385.23466 194.1
[M+K]+ 406.16400 193.5
[M-H]- 366.19356 193.3
[M+Na-2H]- 388.17551 196.5
[M]+ 367.20029 191.3
[M]- 367.20139 191.3
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.