CID 6096809

Chembl177405

Structural Information

Molecular Formula
C19H15N3O6
SMILES
COC1=CC(=C(C=C1)OC)CN2C(=O)C3=C(C2=O)C(=O)C4=C(C3=O)NC=CN4
InChI
InChI=1S/C19H15N3O6/c1-27-10-3-4-11(28-2)9(7-10)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-5-6-21-15/h3-7,20-21H,8H2,1-2H3
InChIKey
GJRRLWFLZLRXBE-UHFFFAOYSA-N
Compound name
7-[(2,5-dimethoxyphenyl)methyl]-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

381.0961 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10338 186.7
[M+Na]+ 404.08532 200.4
[M-H]- 380.08882 191.2
[M+NH4]+ 399.12992 197.4
[M+K]+ 420.05926 193.9
[M+H-H2O]+ 364.09336 177.5
[M+HCOO]- 426.09430 205.1
[M+CH3COO]- 440.10995 216.2
[M+Na-2H]- 402.07077 189.7
[M]+ 381.09555 193.7
[M]- 381.09665 193.7
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