CID 137634027

Dndi-0690

Structural Information

Molecular Formula
C18H15FN4O4
SMILES
C1CN2C=C(N=C2O[C@H]1COC3=CN=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]
InChI
InChI=1S/C18H15FN4O4/c19-13-3-1-12(2-4-13)16-6-5-14(9-20-16)26-11-15-7-8-22-10-17(23(24)25)21-18(22)27-15/h1-6,9-10,15H,7-8,11H2/t15-/m1/s1
InChIKey
USIKCXQLXHGVDD-OAHLLOKOSA-N
Compound name
(7R)-7-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

370.10773 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11501 182.8
[M+Na]+ 393.09695 189.0
[M-H]- 369.10045 189.0
[M+NH4]+ 388.14155 190.5
[M+K]+ 409.07089 180.9
[M+H-H2O]+ 353.10499 174.9
[M+HCOO]- 415.10593 199.7
[M+CH3COO]- 429.12158 209.7
[M+Na-2H]- 391.08240 188.4
[M]+ 370.10718 180.9
[M]- 370.10828 180.9
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.