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]+ 292.096816 164.4
[M+Na]+ 314.078758 177.3
[M-H]- 290.082264 172.9
[M+NH4]+ 309.123363 181.0
[M+K]+ 330.052698 172.4
[M+H-H2O]+ 274.086800 156.8
[M+HCOO]- 336.087741 186.0
[M+CH3COO]- 350.103391 177.9
[M+Na-2H]- 312.064206 170.9
[M]+ 291.08899142 169.4
[M]- 291.09008858 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.