CID 15556

Lg 50046

Structural Information

Molecular Formula
C17H23NO6
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCCCC2)OC
InChI
InChI=1S/C17H23NO6/c1-4-23-17(20)24-15-13(21-2)10-12(11-14(15)22-3)16(19)18-8-6-5-7-9-18/h10-11H,4-9H2,1-3H3
InChIKey
BRKLZMLKIKEGJW-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(piperidine-1-carbonyl)phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15253 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.159806 177.0
[M+Na]+ 360.141748 181.5
[M-H]- 336.145254 181.5
[M+NH4]+ 355.186353 188.9
[M+K]+ 376.115688 181.1
[M+H-H2O]+ 320.149790 168.1
[M+HCOO]- 382.150731 194.3
[M+CH3COO]- 396.166381 208.9
[M+Na-2H]- 358.127196 176.6
[M]+ 337.15198142 180.4
[M]- 337.15307858 180.4
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.