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]+ 292.12920 166.5
[M+Na]+ 314.11114 176.4
[M-H]- 290.11464 171.2
[M+NH4]+ 309.15574 179.8
[M+K]+ 330.08508 173.5
[M+H-H2O]+ 274.11918 158.0
[M+HCOO]- 336.12012 181.9
[M+CH3COO]- 350.13577 202.8
[M+Na-2H]- 312.09659 167.0
[M]+ 291.12137 167.5
[M]- 291.12247 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.