CID 3996345

26477-09-8

Structural Information

Molecular Formula
C18H17NO4
SMILES
COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C18H17NO4/c1-22-15-8-7-12(11-16(15)23-2)9-10-19-17(20)13-5-3-4-6-14(13)18(19)21/h3-8,11H,9-10H2,1-2H3
InChIKey
GPDCNLWLOFAXDG-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

311.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 172.0
[M+Na]+ 334.10497 185.9
[M+NH4]+ 329.14957 179.2
[M+K]+ 350.07891 180.5
[M-H]- 310.10847 175.0
[M+Na-2H]- 332.09042 177.7
[M]+ 311.11520 174.8
[M]- 311.11630 174.8
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

patents stripe