CID 3033554

Brn 2029947

Structural Information

Molecular Formula
C20H18N2O8
SMILES
C1=CC=C(C=C1)OCC(=O)OC(=O)N/C=C/NC(=O)OC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C20H18N2O8/c23-17(13-27-15-7-3-1-4-8-15)29-19(25)21-11-12-22-20(26)30-18(24)14-28-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,25)(H,22,26)/b12-11+
InChIKey
GJOUVZMYTGGZHZ-VAWYXSNFSA-N
Compound name
[(E)-2-[(2-phenoxyacetyl)oxycarbonylamino]ethenyl]carbamoyl 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.10632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.11360 192.7
[M+Na]+ 437.09554 194.2
[M-H]- 413.09904 198.1
[M+NH4]+ 432.14014 200.7
[M+K]+ 453.06948 193.8
[M+H-H2O]+ 397.10358 182.3
[M+HCOO]- 459.10452 215.5
[M+CH3COO]- 473.12017 222.2
[M+Na-2H]- 435.08099 194.5
[M]+ 414.10577 197.0
[M]- 414.10687 197.0
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

No patent data available for this compound.