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 159.7
[M+Na]+ 297.13219 168.8
[M-H]- 273.13569 163.7
[M+NH4]+ 292.17679 173.1
[M+K]+ 313.10613 170.4
[M+H-H2O]+ 257.14023 150.2
[M+HCOO]- 319.14117 181.6
[M+CH3COO]- 333.15682 206.2
[M+Na-2H]- 295.11764 166.8
[M]+ 274.14242 163.0
[M]- 274.14352 163.0
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.