CID 24844811

5h-pyrido(2,3-e)(1,3)diazepine-5,9(8h)-dione, 8-(2-(diethylamino)ethyl)-, oxalate

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CCN(CC)CCN1C=NC(=O)C2=C(C1=O)N=CC=C2
InChI
InChI=1S/C14H18N4O2/c1-3-17(4-2)8-9-18-10-16-13(19)11-6-5-7-15-12(11)14(18)20/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey
JJSFBQIXCISFDD-UHFFFAOYSA-N
Compound name
8-[2-(diethylamino)ethyl]pyrido[2,3-e][1,3]diazepine-5,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 159.5
[M+Na]+ 297.13219 171.4
[M+NH4]+ 292.17679 165.0
[M+K]+ 313.10613 166.6
[M-H]- 273.13569 160.4
[M+Na-2H]- 295.11764 165.7
[M]+ 274.14242 161.4
[M]- 274.14352 161.4
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.