CID 5470544

Nsc702987

Structural Information

Molecular Formula
C17H19NO8
SMILES
CC(=O)OCC(C(=O)OC)NC(=O)/C=C/C1=CC(=C(C=C1)O)OC(=O)C
InChI
InChI=1S/C17H19NO8/c1-10(19)25-9-13(17(23)24-3)18-16(22)7-5-12-4-6-14(21)15(8-12)26-11(2)20/h4-8,13,21H,9H2,1-3H3,(H,18,22)/b7-5+
InChIKey
KQJYAPDDJMABGO-FNORWQNLSA-N
Compound name
methyl 3-acetyloxy-2-[[(E)-3-(3-acetyloxy-4-hydroxyphenyl)prop-2-enoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.11105 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11833 180.2
[M+Na]+ 388.10027 184.2
[M-H]- 364.10377 182.0
[M+NH4]+ 383.14487 191.1
[M+K]+ 404.07421 184.4
[M+H-H2O]+ 348.10831 172.7
[M+HCOO]- 410.10925 199.3
[M+CH3COO]- 424.12490 214.5
[M+Na-2H]- 386.08572 177.4
[M]+ 365.11050 185.6
[M]- 365.11160 185.6
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.