CID 337123

Nsc353901

Structural Information

Molecular Formula
C16H11NO3
SMILES
CC1=CC(=O)C2=C(N1)C=CC3=C2OC4=CC=CC=C4O3
InChI
InChI=1S/C16H11NO3/c1-9-8-11(18)15-10(17-9)6-7-14-16(15)20-13-5-3-2-4-12(13)19-14/h2-8H,1H3,(H,17,18)
InChIKey
QSTDEPCUTCXUSJ-UHFFFAOYSA-N
Compound name
3-methyl-4H-[1,4]benzodioxino[2,3-f]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07388 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 156.0
[M+Na]+ 288.06310 167.1
[M-H]- 264.06660 161.7
[M+NH4]+ 283.10770 171.2
[M+K]+ 304.03704 163.8
[M+H-H2O]+ 248.07114 147.7
[M+HCOO]- 310.07208 172.0
[M+CH3COO]- 324.08773 168.5
[M+Na-2H]- 286.04855 166.5
[M]+ 265.07333 158.1
[M]- 265.07443 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.