CID 496811

Nsc699430

Structural Information

Molecular Formula
C16H15NO3
SMILES
COC1=CC=C(C=C1)N2C3C(C2=O)CC4=CC(=O)CC34
InChI
InChI=1S/C16H15NO3/c1-20-12-4-2-10(3-5-12)17-15-13-8-11(18)6-9(13)7-14(15)16(17)19/h2-6,13-15H,7-8H2,1H3
InChIKey
RHAFEQMMAZZUSG-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-3-azatricyclo[5.3.0.02,5]dec-7-ene-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 154.5
[M+Na]+ 292.09442 163.0
[M-H]- 268.09792 162.5
[M+NH4]+ 287.13902 169.1
[M+K]+ 308.06836 162.0
[M+H-H2O]+ 252.10246 144.3
[M+HCOO]- 314.10340 174.3
[M+CH3COO]- 328.11905 202.1
[M+Na-2H]- 290.07987 155.2
[M]+ 269.10465 165.5
[M]- 269.10575 165.5
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.