CID 476920

[(5r)-3-(3-fluoro-4-imidazol-1-yl-phenyl)-4,5-dihydroisoxazol-5-yl]methylcarbamic acid

Structural Information

Molecular Formula
C14H13FN4O3
SMILES
C1[C@@H](ON=C1C2=CC(=C(C=C2)N3C=CN=C3)F)CNC(=O)O
InChI
InChI=1S/C14H13FN4O3/c15-11-5-9(1-2-13(11)19-4-3-16-8-19)12-6-10(22-18-12)7-17-14(20)21/h1-5,8,10,17H,6-7H2,(H,20,21)/t10-/m1/s1
InChIKey
ANPVDZWWOGSOBU-SNVBAGLBSA-N
Compound name
[(5R)-3-(3-fluoro-4-imidazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.09717 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10445 165.0
[M+Na]+ 327.08639 172.8
[M-H]- 303.08989 170.0
[M+NH4]+ 322.13099 176.8
[M+K]+ 343.06033 169.8
[M+H-H2O]+ 287.09443 154.9
[M+HCOO]- 349.09537 184.3
[M+CH3COO]- 363.11102 175.8
[M+Na-2H]- 325.07184 165.9
[M]+ 304.09662 164.4
[M]- 304.09772 164.4
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.