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]+ 306.112476 169.1
[M+Na]+ 328.094418 182.0
[M-H]- 304.097924 178.7
[M+NH4]+ 323.139023 185.8
[M+K]+ 344.068358 177.7
[M+H-H2O]+ 288.102460 161.0
[M+HCOO]- 350.103401 191.9
[M+CH3COO]- 364.119051 182.8
[M+Na-2H]- 326.079866 175.4
[M]+ 305.10465142 176.1
[M]- 305.10574858 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.