CID 3075250

1h-pyrrolo(3,4-c)pyridine-1,3,4(2h,5h)-trione, 5,6-dimethyl-2-(4-morpholinylmethyl)-

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CC1=CC2=C(C(=O)N1C)C(=O)N(C2=O)CN3CCOCC3
InChI
InChI=1S/C14H17N3O4/c1-9-7-10-11(13(19)15(9)2)14(20)17(12(10)18)8-16-3-5-21-6-4-16/h7H,3-6,8H2,1-2H3
InChIKey
STQODCOZGLBCFK-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-(morpholin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3,4-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12192 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.129196 166.5
[M+Na]+ 314.111138 176.4
[M-H]- 290.114644 171.2
[M+NH4]+ 309.155743 179.8
[M+K]+ 330.085078 173.5
[M+H-H2O]+ 274.119180 158.0
[M+HCOO]- 336.120121 181.9
[M+CH3COO]- 350.135771 202.8
[M+Na-2H]- 312.096586 167.0
[M]+ 291.12137142 167.5
[M]- 291.12246858 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.