CID 465217

Pa-647

Structural Information

Molecular Formula
C20H19N3O5
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C20H19N3O5/c24-23(25)19-11-22-10-18(14-28-20(22)21-19)27-13-16-6-8-17(9-7-16)26-12-15-4-2-1-3-5-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1
InChIKey
UUWGSZMZJOZWCU-SFHVURJKSA-N
Compound name
(6S)-2-nitro-6-[(4-phenylmethoxyphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

381.13248 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.13976 187.1
[M+Na]+ 404.12170 191.2
[M-H]- 380.12520 195.2
[M+NH4]+ 399.16630 195.4
[M+K]+ 420.09564 184.2
[M+H-H2O]+ 364.12974 180.3
[M+HCOO]- 426.13068 205.9
[M+CH3COO]- 440.14633 211.2
[M+Na-2H]- 402.10715 193.1
[M]+ 381.13193 187.3
[M]- 381.13303 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.