CID 28070

16785-18-5

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CN1CCN(CC1)CCCC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H28N2O4/c1-19-8-10-20(11-9-19)7-5-6-15(21)14-12-16(22-2)18(24-4)17(13-14)23-3/h12-13H,5-11H2,1-4H3
InChIKey
JXDGRSSAFBCDCS-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 181.9
[M+Na]+ 359.19412 186.9
[M-H]- 335.19762 184.9
[M+NH4]+ 354.23872 192.8
[M+K]+ 375.16806 184.7
[M+H-H2O]+ 319.20216 172.1
[M+HCOO]- 381.20310 197.8
[M+CH3COO]- 395.21875 213.3
[M+Na-2H]- 357.17957 181.0
[M]+ 336.20435 185.1
[M]- 336.20545 185.1
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.