CID 3009657

3-phenyl-1-(2,4,6-trimethoxyphenyl)pyrrole-2,5-dione

Structural Information

Molecular Formula
C19H17NO5
SMILES
COC1=CC(=C(C(=C1)OC)N2C(=O)C=C(C2=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C19H17NO5/c1-23-13-9-15(24-2)18(16(10-13)25-3)20-17(21)11-14(19(20)22)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey
QATRWIJCAQIFBB-UHFFFAOYSA-N
Compound name
3-phenyl-1-(2,4,6-trimethoxyphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 176.0
[M+Na]+ 362.09992 185.9
[M-H]- 338.10342 185.8
[M+NH4]+ 357.14452 190.2
[M+K]+ 378.07386 182.6
[M+H-H2O]+ 322.10796 167.1
[M+HCOO]- 384.10890 199.3
[M+CH3COO]- 398.12455 211.7
[M+Na-2H]- 360.08537 176.2
[M]+ 339.11015 182.1
[M]- 339.11125 182.1
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.