CID 5274459

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

Structural Information

Molecular Formula
C18H13NO2
SMILES
CN1C=CC2=C1C=CC3=C2OC(=CC3=O)C4=CC=CC=C4
InChI
InChI=1S/C18H13NO2/c1-19-10-9-13-15(19)8-7-14-16(20)11-17(21-18(13)14)12-5-3-2-4-6-12/h2-11H,1H3
InChIKey
RJLIJFJXKWSGGX-UHFFFAOYSA-N
Compound name
7-methyl-2-phenylpyrano[2,3-e]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.09464 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.101916 160.8
[M+Na]+ 298.083858 173.4
[M-H]- 274.087364 170.2
[M+NH4]+ 293.128463 178.6
[M+K]+ 314.057798 168.6
[M+H-H2O]+ 258.091900 152.8
[M+HCOO]- 320.092841 183.8
[M+CH3COO]- 334.108491 174.8
[M+Na-2H]- 296.069306 168.2
[M]+ 275.09409142 165.7
[M]- 275.09518858 165.7
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.