CID 485671

Schembl8130962

Structural Information

Molecular Formula
C16H16N4O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4C=NC=C4CO3
InChI
InChI=1S/C16H16N4O4/c1-10(21)18-6-13-7-19(16(22)24-13)11-2-3-14-15(4-11)23-8-12-5-17-9-20(12)14/h2-5,9,13H,6-8H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey
CXADGHRQYJLMIW-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-(4H-imidazo[5,1-c][1,4]benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.11716 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12444 174.2
[M+Na]+ 351.10638 182.1
[M-H]- 327.10988 180.4
[M+NH4]+ 346.15098 186.5
[M+K]+ 367.08032 180.4
[M+H-H2O]+ 311.11442 166.0
[M+HCOO]- 373.11536 189.9
[M+CH3COO]- 387.13101 184.7
[M+Na-2H]- 349.09183 175.8
[M]+ 328.11661 176.1
[M]- 328.11771 176.1
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

patents stripe