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)pyridin-3-yl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4
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

literature stripe

Patent stripe

patents stripe