CID 72059

Fenleuton

Structural Information

Molecular Formula
C17H15FN2O3
SMILES
CC(C#CC1=CC(=CC=C1)OC2=CC=C(C=C2)F)N(C(=O)N)O
InChI
InChI=1S/C17H15FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-4,7-12,22H,1H3,(H2,19,21)
InChIKey
MWXPQCKCKPYBDR-UHFFFAOYSA-N
Compound name
1-[4-[3-(4-fluorophenoxy)phenyl]but-3-yn-2-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2614
Patents

314.10666 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11394 178.1
[M+Na]+ 337.09588 185.6
[M-H]- 313.09938 180.3
[M+NH4]+ 332.14048 189.4
[M+K]+ 353.06982 180.7
[M+H-H2O]+ 297.10392 163.0
[M+HCOO]- 359.10486 193.6
[M+CH3COO]- 373.12051 214.9
[M+Na-2H]- 335.08133 177.0
[M]+ 314.10611 170.5
[M]- 314.10721 170.5
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.