CID 3063596

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

Structural Information

Molecular Formula
C14H18N4O3
SMILES
CCN(CC)CCN1C(=O)C2=C(NC(=O)C1=O)N=CC=C2
InChI
InChI=1S/C14H18N4O3/c1-3-17(4-2)8-9-18-13(20)10-6-5-7-15-11(10)16-12(19)14(18)21/h5-7H,3-4,8-9H2,1-2H3,(H,15,16,19)
InChIKey
VYOFXEKGDHEDJI-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethyl]-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

290.13788 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14516 163.1
[M+Na]+ 313.12710 172.7
[M-H]- 289.13060 166.2
[M+NH4]+ 308.17170 175.4
[M+K]+ 329.10104 174.0
[M+H-H2O]+ 273.13514 153.9
[M+HCOO]- 335.13608 183.9
[M+CH3COO]- 349.15173 206.5
[M+Na-2H]- 311.11255 169.0
[M]+ 290.13733 165.7
[M]- 290.13843 165.7
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.