CID 21592415

Nostodione a

Structural Information

Molecular Formula
C18H11NO3
SMILES
C1=CC=C2C(=C1)C3=C(N2)/C(=C\C4=CC=C(C=C4)O)/C(=O)C3=O
InChI
InChI=1S/C18H11NO3/c20-11-7-5-10(6-8-11)9-13-16-15(18(22)17(13)21)12-3-1-2-4-14(12)19-16/h1-9,19-20H/b13-9+
InChIKey
FOJRFMGTQBVGNJ-UKTHLTGXSA-N
Compound name
(3E)-3-[(4-hydroxyphenyl)methylidene]-4H-cyclopenta[b]indole-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

289.07388 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08116 164.6
[M+Na]+ 312.06310 176.3
[M-H]- 288.06660 171.1
[M+NH4]+ 307.10770 183.6
[M+K]+ 328.03704 168.9
[M+H-H2O]+ 272.07114 158.7
[M+HCOO]- 334.07208 185.6
[M+CH3COO]- 348.08773 177.3
[M+Na-2H]- 310.04855 166.6
[M]+ 289.07333 165.4
[M]- 289.07443 165.4
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