CID 1591466

Stk086320

Structural Information

Molecular Formula
C20H19NO5
SMILES
CCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C20H19NO5/c1-2-11-24-20(23)15-5-7-16(8-6-15)21-19(22)10-4-14-3-9-17-18(12-14)26-13-25-17/h3-10,12H,2,11,13H2,1H3,(H,21,22)/b10-4+
InChIKey
GYJHLPQATMQYOE-ONNFQVAWSA-N
Compound name
propyl 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.133576 184.4
[M+Na]+ 376.115518 189.7
[M-H]- 352.119024 192.8
[M+NH4]+ 371.160123 196.6
[M+K]+ 392.089458 188.3
[M+H-H2O]+ 336.123560 176.6
[M+HCOO]- 398.124501 204.5
[M+CH3COO]- 412.140151 213.5
[M+Na-2H]- 374.100966 186.9
[M]+ 353.12575142 188.4
[M]- 353.12684858 188.4
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.