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]+ 273.134596 161.8
[M+Na]+ 295.116538 170.2
[M-H]- 271.120044 165.2
[M+NH4]+ 290.161143 172.8
[M+K]+ 311.090478 169.4
[M+H-H2O]+ 255.124580 150.6
[M+HCOO]- 317.125521 177.9
[M+CH3COO]- 331.141171 171.9
[M+Na-2H]- 293.101986 168.1
[M]+ 272.12677142 158.4
[M]- 272.12786858 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.