CID 55600

Brn 4577844

Structural Information

Molecular Formula
C24H40N4O3
SMILES
CC(=O)C1=C(C=CC(=C1)OCCCN2CCN(CC2)C)OCCCN3CCN(CC3)C
InChI
InChI=1S/C24H40N4O3/c1-21(29)23-20-22(30-18-4-8-27-14-10-25(2)11-15-27)6-7-24(23)31-19-5-9-28-16-12-26(3)13-17-28/h6-7,20H,4-5,8-19H2,1-3H3
InChIKey
WDETWRQQTJNGQY-UHFFFAOYSA-N
Compound name
1-[2,5-bis[3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.31003 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.31731 212.7
[M+Na]+ 455.29925 213.2
[M-H]- 431.30275 214.0
[M+NH4]+ 450.34385 215.9
[M+K]+ 471.27319 208.3
[M+H-H2O]+ 415.30729 199.0
[M+HCOO]- 477.30823 220.4
[M+CH3COO]- 491.32388 231.3
[M+Na-2H]- 453.28470 207.9
[M]+ 432.30948 210.2
[M]- 432.31058 210.2
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.