CID 515968

Chembl358951

Structural Information

Molecular Formula
C18H16N2O5
SMILES
COC1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)C(=O)N)C(=O)C2=O)OC
InChI
InChI=1S/C18H16N2O5/c1-24-12-5-10(6-13(8-12)25-2)9-20-15-4-3-11(17(19)22)7-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22)
InChIKey
XAKKOTVGIIAFND-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.10593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11321 176.4
[M+Na]+ 363.09515 185.7
[M-H]- 339.09865 183.3
[M+NH4]+ 358.13975 191.1
[M+K]+ 379.06909 182.3
[M+H-H2O]+ 323.10319 168.5
[M+HCOO]- 385.10413 198.0
[M+CH3COO]- 399.11978 215.5
[M+Na-2H]- 361.08060 176.4
[M]+ 340.10538 180.6
[M]- 340.10648 180.6
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.