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]+ 276.10192 160.8
[M+Na]+ 298.08386 173.4
[M-H]- 274.08736 170.2
[M+NH4]+ 293.12846 178.6
[M+K]+ 314.05780 168.6
[M+H-H2O]+ 258.09190 152.8
[M+HCOO]- 320.09284 183.8
[M+CH3COO]- 334.10849 174.8
[M+Na-2H]- 296.06931 168.2
[M]+ 275.09409 165.7
[M]- 275.09519 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.