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]+ 353.17070 181.0
[M+Na]+ 375.15264 186.4
[M-H]- 351.15614 184.5
[M+NH4]+ 370.19724 191.2
[M+K]+ 391.12658 185.8
[M+H-H2O]+ 335.16068 171.5
[M+HCOO]- 397.16162 197.0
[M+CH3COO]- 411.17727 213.0
[M+Na-2H]- 373.13809 180.0
[M]+ 352.16287 185.3
[M]- 352.16397 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.