CID 5274462

3-hydroxy-7-methyl-2-phenyl-pyrano[2,3-e]indol-4-one

Structural Information

Molecular Formula
C18H13NO3
SMILES
CN1C=CC2=C1C=CC3=C2OC(=C(C3=O)O)C4=CC=CC=C4
InChI
InChI=1S/C18H13NO3/c1-19-10-9-12-14(19)8-7-13-15(20)16(21)17(22-18(12)13)11-5-3-2-4-6-11/h2-10,21H,1H3
InChIKey
ZJDBRMIADUQDLC-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methyl-2-phenylpyrano[2,3-e]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.08954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 164.4
[M+Na]+ 314.07876 177.3
[M-H]- 290.08226 172.9
[M+NH4]+ 309.12336 181.0
[M+K]+ 330.05270 172.4
[M+H-H2O]+ 274.08680 156.8
[M+HCOO]- 336.08774 186.0
[M+CH3COO]- 350.10339 177.9
[M+Na-2H]- 312.06421 170.9
[M]+ 291.08899 169.4
[M]- 291.09009 169.4
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

No patent data available for this compound.