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 188.7
[M+Na]+ 390.19006 190.8
[M-H]- 366.19356 192.9
[M+NH4]+ 385.23466 195.1
[M+K]+ 406.16400 185.7
[M+H-H2O]+ 350.19810 176.3
[M+HCOO]- 412.19904 204.8
[M+CH3COO]- 426.21469 220.4
[M+Na-2H]- 388.17551 191.0
[M]+ 367.20029 183.8
[M]- 367.20139 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.