CID 10735662

Prenostodione

Structural Information

Molecular Formula
C19H15NO5
SMILES
COC(=O)/C(=C/C1=CC=C(C=C1)O)/C2=C(C3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C19H15NO5/c1-25-19(24)14(10-11-6-8-12(21)9-7-11)17-16(18(22)23)13-4-2-3-5-15(13)20-17/h2-10,20-21H,1H3,(H,22,23)/b14-10+
InChIKey
QYJQBWBZFOEMII-GXDHUFHOSA-N
Compound name
2-[(E)-1-(4-hydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

337.09503 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10231 176.7
[M+Na]+ 360.08425 184.0
[M-H]- 336.08775 179.9
[M+NH4]+ 355.12885 189.3
[M+K]+ 376.05819 178.9
[M+H-H2O]+ 320.09229 169.4
[M+HCOO]- 382.09323 193.9
[M+CH3COO]- 396.10888 203.0
[M+Na-2H]- 358.06970 176.9
[M]+ 337.09448 177.7
[M]- 337.09558 177.7
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

No patent data available for this compound.