CID 131751337

Iia34680

Structural Information

Molecular Formula
C16H23NO7
SMILES
CCOC(=O)NCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)O)O)O
InChI
InChI=1S/C16H23NO7/c1-3-22-16(21)17-8-10-4-6-11(7-5-10)24-15-14(20)13(19)12(18)9(2)23-15/h4-7,9,12-15,18-20H,3,8H2,1-2H3,(H,17,21)
InChIKey
UNNZZQOFLFJJJZ-UHFFFAOYSA-N
Compound name
ethyl N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.14746 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15474 178.9
[M+Na]+ 364.13668 187.2
[M+NH4]+ 359.18128 182.8
[M+K]+ 380.11062 184.7
[M-H]- 340.14018 180.5
[M+Na-2H]- 362.12213 179.9
[M]+ 341.14691 180.0
[M]- 341.14801 180.0
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

patents stripe