CID 24844813

88350-75-8

Structural Information

Molecular Formula
C15H18N4O4
SMILES
C1COCCN1CC(CN2C=NC(=O)C3=C(C2=O)N=CC=C3)O
InChI
InChI=1S/C15H18N4O4/c20-11(8-18-4-6-23-7-5-18)9-19-10-17-14(21)12-2-1-3-16-13(12)15(19)22/h1-3,10-11,20H,4-9H2
InChIKey
ADRMWSXETJKAPF-UHFFFAOYSA-N
Compound name
8-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-e][1,3]diazepine-5,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1328 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.140076 171.3
[M+Na]+ 341.122018 178.3
[M-H]- 317.125524 174.1
[M+NH4]+ 336.166623 178.3
[M+K]+ 357.095958 179.5
[M+H-H2O]+ 301.130060 159.8
[M+HCOO]- 363.131001 184.2
[M+CH3COO]- 377.146651 180.1
[M+Na-2H]- 339.107466 176.2
[M]+ 318.13225142 169.1
[M]- 318.13334858 169.1
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.