CID 476917

[(5r)-3-[4-(4-pyridyl)phenyl]-4,5-dihydroisoxazol-5-yl]methylcarbamic acid

Structural Information

Molecular Formula
C16H15N3O3
SMILES
C1[C@@H](ON=C1C2=CC=C(C=C2)C3=CC=NC=C3)CNC(=O)O
InChI
InChI=1S/C16H15N3O3/c20-16(21)18-10-14-9-15(19-22-14)13-3-1-11(2-4-13)12-5-7-17-8-6-12/h1-8,14,18H,9-10H2,(H,20,21)/t14-/m1/s1
InChIKey
MRXFKJUKJJHEMO-CQSZACIVSA-N
Compound name
[(5R)-3-(4-pyridin-4-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

297.11133 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 166.9
[M+Na]+ 320.10055 173.2
[M-H]- 296.10405 173.6
[M+NH4]+ 315.14515 178.2
[M+K]+ 336.07449 169.9
[M+H-H2O]+ 280.10859 157.2
[M+HCOO]- 342.10953 187.1
[M+CH3COO]- 356.12518 177.5
[M+Na-2H]- 318.08600 170.8
[M]+ 297.11078 166.2
[M]- 297.11188 166.2
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.