CID 21116990

3-(3-oxo-1h,3h-naphtho[1,8-cd]pyran-1-yl)-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C21H13NO4
SMILES
C1=CC2=C3C(=C1)C(OC(=O)C3=CC=C2)C4=CNC5=C4C=CC=C5C(=O)O
InChI
InChI=1S/C21H13NO4/c23-20(24)15-9-3-6-12-16(10-22-18(12)15)19-13-7-1-4-11-5-2-8-14(17(11)13)21(25)26-19/h1-10,19,22H,(H,23,24)
InChIKey
DSJFZDVMXDFITE-UHFFFAOYSA-N
Compound name
3-(4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.08447 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09175 177.4
[M+Na]+ 366.07369 193.6
[M+NH4]+ 361.11829 185.8
[M+K]+ 382.04763 187.9
[M-H]- 342.07719 182.5
[M+Na-2H]- 364.05914 182.3
[M]+ 343.08392 181.3
[M]- 343.08502 181.3
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

No patent data available for this compound.