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]+ 319.14008 171.3
[M+Na]+ 341.12202 178.3
[M-H]- 317.12552 174.1
[M+NH4]+ 336.16662 178.3
[M+K]+ 357.09596 179.5
[M+H-H2O]+ 301.13006 159.8
[M+HCOO]- 363.13100 184.2
[M+CH3COO]- 377.14665 180.1
[M+Na-2H]- 339.10747 176.2
[M]+ 318.13225 169.1
[M]- 318.13335 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.