CID 2810012

Cambridge id 6974844

Structural Information

Molecular Formula
C24H28N4O4
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)C
InChI
InChI=1S/C24H28N4O4/c1-17(29)19-3-7-21(8-4-19)25-23(31)15-27-11-13-28(14-12-27)16-24(32)26-22-9-5-20(6-10-22)18(2)30/h3-10H,11-16H2,1-2H3,(H,25,31)(H,26,32)
InChIKey
CQYKJXCEADKTDS-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-acetylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-acetylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

436.21106 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.218336 204.8
[M+Na]+ 459.200278 205.5
[M-H]- 435.203784 210.3
[M+NH4]+ 454.244883 209.4
[M+K]+ 475.174218 201.8
[M+H-H2O]+ 419.208320 193.1
[M+HCOO]- 481.209261 219.6
[M+CH3COO]- 495.224911 235.7
[M+Na-2H]- 457.185726 202.3
[M]+ 436.21051142 201.5
[M]- 436.21160858 201.5
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.