CID 24844815

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

Structural Information

Molecular Formula
C14H16N4O2
SMILES
C1CCN(CC1)CN2C=NC(=O)C3=C(C2=O)N=CC=C3
InChI
InChI=1S/C14H16N4O2/c19-13-11-5-4-6-15-12(11)14(20)18(9-16-13)10-17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2
InChIKey
MXZKIKADHVXYCT-UHFFFAOYSA-N
Compound name
8-(piperidin-1-ylmethyl)pyrido[2,3-e][1,3]diazepine-5,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12732 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 162.2
[M+Na]+ 295.11654 175.0
[M+NH4]+ 290.16114 168.0
[M+K]+ 311.09048 169.5
[M-H]- 271.12004 163.9
[M+Na-2H]- 293.10199 169.1
[M]+ 272.12677 164.4
[M]- 272.12787 164.4
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.