CID 15558

Lg 50056

Structural Information

Molecular Formula
C17H24N2O6
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)C)OC
InChI
InChI=1S/C17H24N2O6/c1-5-24-17(21)25-15-13(22-3)10-12(11-14(15)23-4)16(20)19-8-6-18(2)7-9-19/h10-11H,5-9H2,1-4H3
InChIKey
KUGFJSRLHIUQHG-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(4-methylpiperazine-1-carbonyl)phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.16342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.170696 181.0
[M+Na]+ 375.152638 186.4
[M-H]- 351.156144 184.5
[M+NH4]+ 370.197243 191.2
[M+K]+ 391.126578 185.8
[M+H-H2O]+ 335.160680 171.5
[M+HCOO]- 397.161621 197.0
[M+CH3COO]- 411.177271 213.0
[M+Na-2H]- 373.138086 180.0
[M]+ 352.16287142 185.3
[M]- 352.16396858 185.3
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.