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]+ 337.212176 181.9
[M+Na]+ 359.194118 186.9
[M-H]- 335.197624 184.9
[M+NH4]+ 354.238723 192.8
[M+K]+ 375.168058 184.7
[M+H-H2O]+ 319.202160 172.1
[M+HCOO]- 381.203101 197.8
[M+CH3COO]- 395.218751 213.3
[M+Na-2H]- 357.179566 181.0
[M]+ 336.20435142 185.1
[M]- 336.20544858 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.