CID 3716113

349121-36-4

Structural Information

Molecular Formula
C24H30N4O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)C(=O)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C24H30N4O4/c1-31-21-9-5-3-7-19(21)25-11-15-27(16-12-25)23(29)24(30)28-17-13-26(14-18-28)20-8-4-6-10-22(20)32-2/h3-10H,11-18H2,1-2H3
InChIKey
YKMOCQHELLKRJT-UHFFFAOYSA-N
Compound name
1,2-bis[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

438.2267 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.23398 208.7
[M+Na]+ 461.21592 210.2
[M-H]- 437.21942 213.8
[M+NH4]+ 456.26052 210.7
[M+K]+ 477.18986 205.5
[M+H-H2O]+ 421.22396 194.2
[M+HCOO]- 483.22490 216.8
[M+CH3COO]- 497.24055 228.2
[M+Na-2H]- 459.20137 205.4
[M]+ 438.22615 203.2
[M]- 438.22725 203.2
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

patents stripe