CID 461663

8nf0iog8lp

Structural Information

Molecular Formula
C19H18N2O5
SMILES
COC1=C(C=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C19H18N2O5/c1-25-15-8-7-11(9-16(15)26-2)14(10-17(20)22)21-18(23)12-5-3-4-6-13(12)19(21)24/h3-9,14H,10H2,1-2H3,(H2,20,22)
InChIKey
GKPXSGPDRIUIAD-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

100
Patents

354.12158 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 180.9
[M+Na]+ 377.11080 188.6
[M-H]- 353.11430 187.4
[M+NH4]+ 372.15540 194.6
[M+K]+ 393.08474 185.4
[M+H-H2O]+ 337.11884 172.8
[M+HCOO]- 399.11978 201.2
[M+CH3COO]- 413.13543 218.0
[M+Na-2H]- 375.09625 180.0
[M]+ 354.12103 184.5
[M]- 354.12213 184.5
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