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 161.8
[M+Na]+ 295.11654 170.2
[M-H]- 271.12004 165.2
[M+NH4]+ 290.16114 172.8
[M+K]+ 311.09048 169.4
[M+H-H2O]+ 255.12458 150.6
[M+HCOO]- 317.12552 177.9
[M+CH3COO]- 331.14117 171.9
[M+Na-2H]- 293.10199 168.1
[M]+ 272.12677 158.4
[M]- 272.12787 158.4
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.