CID 178072

162750-10-9

Structural Information

Molecular Formula
C16H14F2N2O4
SMILES
C1[C@H](C2=C(O1)C=C(C=C2)OCC3=C(C=CC=C3F)F)N(C(=O)N)O
InChI
InChI=1S/C16H14F2N2O4/c17-12-2-1-3-13(18)11(12)7-23-9-4-5-10-14(20(22)16(19)21)8-24-15(10)6-9/h1-6,14,22H,7-8H2,(H2,19,21)/t14-/m1/s1
InChIKey
INZXHTIWZWAZKX-CQSZACIVSA-N
Compound name
1-[(3S)-6-[(2,6-difluorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

44
Patents

336.09216 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09944 173.3
[M+Na]+ 359.08138 180.6
[M-H]- 335.08488 179.1
[M+NH4]+ 354.12598 187.5
[M+K]+ 375.05532 178.6
[M+H-H2O]+ 319.08942 164.1
[M+HCOO]- 381.09036 193.4
[M+CH3COO]- 395.10601 214.5
[M+Na-2H]- 357.06683 174.3
[M]+ 336.09161 172.7
[M]- 336.09271 172.7
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