CID 266629

Nsc105352

Structural Information

Molecular Formula
C19H19NO4
SMILES
CN1C2=CC=CC=C2C(C1=O)C(=O)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H19NO4/c1-20-14-7-5-4-6-13(14)18(19(20)22)15(21)10-12-8-9-16(23-2)17(11-12)24-3/h4-9,11,18H,10H2,1-3H3
InChIKey
OQCLSBANEULERY-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dimethoxyphenyl)acetyl]-1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

325.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 175.3
[M+Na]+ 348.120618 184.2
[M-H]- 324.124124 182.2
[M+NH4]+ 343.165223 191.1
[M+K]+ 364.094558 180.6
[M+H-H2O]+ 308.128660 167.3
[M+HCOO]- 370.129601 195.8
[M+CH3COO]- 384.145251 210.9
[M+Na-2H]- 346.106066 175.6
[M]+ 325.13085142 180.3
[M]- 325.13194858 180.3
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.