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

9
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

literature stripe

Patent stripe

patents stripe