CID 3063593

1h-pyrido(2,3-e)-1,4-diazepine-2,3,5(4h)-trione, 4-(4-morpholinylmethyl)-

Structural Information

Molecular Formula
C13H14N4O4
SMILES
C1COCCN1CN2C(=O)C3=C(NC(=O)C2=O)N=CC=C3
InChI
InChI=1S/C13H14N4O4/c18-11-13(20)17(8-16-4-6-21-7-5-16)12(19)9-2-1-3-14-10(9)15-11/h1-3H,4-8H2,(H,14,15,18)
InChIKey
MCEWAMBOKICDPT-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethyl)-1H-pyrido[2,3-e][1,4]diazepine-2,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1015 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10878 166.5
[M+Na]+ 313.09072 178.7
[M+NH4]+ 308.13532 170.6
[M+K]+ 329.06466 175.0
[M-H]- 289.09422 167.8
[M+Na-2H]- 311.07617 171.1
[M]+ 290.10095 168.4
[M]- 290.10205 168.4
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.