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 178.1
[M+Na]+ 364.13668 182.5
[M-H]- 340.14018 181.3
[M+NH4]+ 359.18128 188.0
[M+K]+ 380.11062 181.8
[M+H-H2O]+ 324.14472 170.4
[M+HCOO]- 386.14566 193.5
[M+CH3COO]- 400.16131 207.7
[M+Na-2H]- 362.12213 177.8
[M]+ 341.14691 178.7
[M]- 341.14801 178.7
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