CID 6861638

158529-52-3

Structural Information

Molecular Formula
C17H14N2O4
SMILES
COC1=C(C=C(C=C1)/C=N/N2C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C17H14N2O4/c1-22-14-8-7-11(9-15(14)23-2)10-18-19-16(20)12-5-3-4-6-13(12)17(19)21/h3-10H,1-2H3/b18-10+
InChIKey
NAUWYGOIVGQMRW-VCHYOVAHSA-N
Compound name
2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.09537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 168.4
[M+Na]+ 333.08459 178.5
[M-H]- 309.08809 177.0
[M+NH4]+ 328.12919 185.3
[M+K]+ 349.05853 174.9
[M+H-H2O]+ 293.09263 160.1
[M+HCOO]- 355.09357 193.4
[M+CH3COO]- 369.10922 210.2
[M+Na-2H]- 331.07004 172.0
[M]+ 310.09482 173.8
[M]- 310.09592 173.8
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.