CID 10358813

Schembl5894905

Structural Information

Molecular Formula
C18H13NO5
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)/C=C(/C(=O)O)\NC(=O)C3=CC=CO3
InChI
InChI=1S/C18H13NO5/c20-17(16-7-4-10-23-16)19-14(18(21)22)11-13-8-9-15(24-13)12-5-2-1-3-6-12/h1-11H,(H,19,20)(H,21,22)/b14-11-
InChIKey
IYFIAQBGUIAJJO-KAMYIIQDSA-N
Compound name
(Z)-2-(furan-2-carbonylamino)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

323.07938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08666 174.3
[M+Na]+ 346.06860 180.4
[M-H]- 322.07210 185.0
[M+NH4]+ 341.11320 187.3
[M+K]+ 362.04254 179.3
[M+H-H2O]+ 306.07664 167.5
[M+HCOO]- 368.07758 197.8
[M+CH3COO]- 382.09323 203.3
[M+Na-2H]- 344.05405 175.7
[M]+ 323.07883 177.3
[M]- 323.07993 177.3
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