CID 5274460

2-(4-methoxyphenyl)-7-methyl-pyrano[2,3-e]indol-4-one

Structural Information

Molecular Formula
C19H15NO3
SMILES
CN1C=CC2=C1C=CC3=C2OC(=CC3=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H15NO3/c1-20-10-9-14-16(20)8-7-15-17(21)11-18(23-19(14)15)12-3-5-13(22-2)6-4-12/h3-11H,1-2H3
InChIKey
SDPBRXQNIPJTSW-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11248 169.1
[M+Na]+ 328.09442 182.0
[M-H]- 304.09792 178.7
[M+NH4]+ 323.13902 185.8
[M+K]+ 344.06836 177.7
[M+H-H2O]+ 288.10246 161.0
[M+HCOO]- 350.10340 191.9
[M+CH3COO]- 364.11905 182.8
[M+Na-2H]- 326.07987 175.4
[M]+ 305.10465 176.1
[M]- 305.10575 176.1
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.