CID 497369

Chembl134073

Structural Information

Molecular Formula
C19H18FN3O4
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NN=CC=C4)F
InChI
InChI=1S/C19H18FN3O4/c20-17-10-14(3-4-16(17)13-5-8-25-9-6-13)23-11-15(27-19(23)24)12-26-18-2-1-7-21-22-18/h1-5,7,10,15H,6,8-9,11-12H2/t15-/m1/s1
InChIKey
QRRWRYBQQWWJOQ-OAHLLOKOSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-(pyridazin-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

371.12814 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13542 186.2
[M+Na]+ 394.11736 192.8
[M-H]- 370.12086 194.5
[M+NH4]+ 389.16196 192.2
[M+K]+ 410.09130 190.0
[M+H-H2O]+ 354.12540 173.5
[M+HCOO]- 416.12634 200.3
[M+CH3COO]- 430.14199 195.1
[M+Na-2H]- 392.10281 186.4
[M]+ 371.12759 184.8
[M]- 371.12869 184.8
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