CID 485673

N-[((5s)-3-benzo[3,4-b]1,2,4-triazolo[4,3-d]morpholin-7-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide

Structural Information

Molecular Formula
C15H15N5O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4C=NN=C4CO3
InChI
InChI=1S/C15H15N5O4/c1-9(21)16-5-11-6-19(15(22)24-11)10-2-3-12-13(4-10)23-7-14-18-17-8-20(12)14/h2-4,8,11H,5-7H2,1H3,(H,16,21)/t11-/m0/s1
InChIKey
NDDKCIQYKXYFGF-NSHDSACASA-N
Compound name
N-[[(5S)-2-oxo-3-(4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-7-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.1124 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11968 174.4
[M+Na]+ 352.10162 182.6
[M-H]- 328.10512 179.4
[M+NH4]+ 347.14622 185.2
[M+K]+ 368.07556 181.0
[M+H-H2O]+ 312.10966 165.4
[M+HCOO]- 374.11060 189.0
[M+CH3COO]- 388.12625 184.5
[M+Na-2H]- 350.08707 176.0
[M]+ 329.11185 176.4
[M]- 329.11295 176.4
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

patents stripe