CID 515967

Chembl149822

Structural Information

Molecular Formula
C17H14N2O4
SMILES
COC1=CC=CC(=C1)CN2C3=C(C=C(C=C3)C(=O)N)C(=O)C2=O
InChI
InChI=1S/C17H14N2O4/c1-23-12-4-2-3-10(7-12)9-19-14-6-5-11(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21)
InChIKey
KNAQSMYZBPPORE-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.09537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 169.3
[M+Na]+ 333.08459 178.5
[M-H]- 309.08809 176.1
[M+NH4]+ 328.12919 185.1
[M+K]+ 349.05853 174.4
[M+H-H2O]+ 293.09263 161.5
[M+HCOO]- 355.09357 191.2
[M+CH3COO]- 369.10922 208.9
[M+Na-2H]- 331.07004 170.3
[M]+ 310.09482 171.4
[M]- 310.09592 171.4
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.