CID 3063595

4-(2-hydroxy-3-(4-morpholino)propyl)-1h-pyrido(2,3-e)-1,4-diazepine-2,3,5(4h)-trione

Structural Information

Molecular Formula
C15H18N4O5
SMILES
C1COCCN1CC(CN2C(=O)C3=C(NC(=O)C2=O)N=CC=C3)O
InChI
InChI=1S/C15H18N4O5/c20-10(8-18-4-6-24-7-5-18)9-19-14(22)11-2-1-3-16-12(11)17-13(21)15(19)23/h1-3,10,20H,4-9H2,(H,16,17,21)
InChIKey
LMRZSQNLGONTLH-UHFFFAOYSA-N
Compound name
4-(2-hydroxy-3-morpholin-4-ylpropyl)-1H-pyrido[2,3-e][1,4]diazepine-2,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.12772 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13500 175.0
[M+Na]+ 357.11694 182.5
[M-H]- 333.12044 177.0
[M+NH4]+ 352.16154 181.0
[M+K]+ 373.09088 183.4
[M+H-H2O]+ 317.12498 163.8
[M+HCOO]- 379.12592 186.8
[M+CH3COO]- 393.14157 183.3
[M+Na-2H]- 355.10239 178.8
[M]+ 334.12717 172.3
[M]- 334.12827 172.3
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.