CID 131497274

2090148-85-7

Structural Information

Molecular Formula
C14H14N2O4
SMILES
C1C(COC2=C(C=NN21)C(=O)O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H14N2O4/c17-14(18)12-6-15-16-7-11(9-20-13(12)16)19-8-10-4-2-1-3-5-10/h1-6,11H,7-9H2,(H,17,18)
InChIKey
OSDGQVPCPIEJJB-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 159.3
[M+Na]+ 297.08459 166.2
[M-H]- 273.08809 163.4
[M+NH4]+ 292.12919 173.0
[M+K]+ 313.05853 164.2
[M+H-H2O]+ 257.09263 150.9
[M+HCOO]- 319.09357 176.3
[M+CH3COO]- 333.10922 193.9
[M+Na-2H]- 295.07004 163.4
[M]+ 274.09482 160.0
[M]- 274.09592 160.0
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.