CID 727477

881885-10-5

Structural Information

Molecular Formula
C17H15NO3
SMILES
COC1=C(C=C(C=C1)/C=C\2/C3=CC=CC=C3NC2=O)OC
InChI
InChI=1S/C17H15NO3/c1-20-15-8-7-11(10-16(15)21-2)9-13-12-5-3-4-6-14(12)18-17(13)19/h3-10H,1-2H3,(H,18,19)/b13-9-
InChIKey
NWARFCHBQFFBGZ-LCYFTJDESA-N
Compound name
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

281.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.0
[M+Na]+ 304.09442 173.2
[M-H]- 280.09792 169.5
[M+NH4]+ 299.13902 181.0
[M+K]+ 320.06836 167.8
[M+H-H2O]+ 264.10246 156.5
[M+HCOO]- 326.10340 184.7
[M+CH3COO]- 340.11905 197.6
[M+Na-2H]- 302.07987 166.6
[M]+ 281.10465 165.3
[M]- 281.10575 165.3
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

patents stripe