CID 476504

Pa-1125

Structural Information

Molecular Formula
C20H18N4O5
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C20H18N4O5/c25-19(21-16-10-23-11-18(24(26)27)22-20(23)29-13-16)15-6-8-17(9-7-15)28-12-14-4-2-1-3-5-14/h1-9,11,16H,10,12-13H2,(H,21,25)/t16-/m0/s1
InChIKey
BIXSAHPFKZUWIY-INIZCTEOSA-N
Compound name
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-4-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.12772 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13500 187.7
[M+Na]+ 417.11694 190.8
[M-H]- 393.12044 195.9
[M+NH4]+ 412.16154 195.0
[M+K]+ 433.09088 183.9
[M+H-H2O]+ 377.12498 181.0
[M+HCOO]- 439.12592 206.8
[M+CH3COO]- 453.14157 215.4
[M+Na-2H]- 415.10239 193.8
[M]+ 394.12717 186.0
[M]- 394.12827 186.0
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.