CID 476501

187235-34-3

Structural Information

Molecular Formula
C14H15N3O5
SMILES
COC1=CC=C(C=C1)CO[C@H]2CN3C=C(N=C3OC2)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O5/c1-20-11-4-2-10(3-5-11)8-21-12-6-16-7-13(17(18)19)15-14(16)22-9-12/h2-5,7,12H,6,8-9H2,1H3/t12-/m0/s1
InChIKey
USPZSXDGWAVDHJ-LBPRGKRZSA-N
Compound name
(6S)-6-[(4-methoxyphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.10117 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10845 166.2
[M+Na]+ 328.09039 172.2
[M-H]- 304.09389 171.8
[M+NH4]+ 323.13499 178.5
[M+K]+ 344.06433 166.9
[M+H-H2O]+ 288.09843 161.6
[M+HCOO]- 350.09937 186.1
[M+CH3COO]- 364.11502 197.1
[M+Na-2H]- 326.07584 173.3
[M]+ 305.10062 167.3
[M]- 305.10172 167.3
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.