CID 71460

141579-67-1

Structural Information

Molecular Formula
C15H13FN2O4
SMILES
CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)F)N(C(=O)N)O
InChI
InChI=1S/C15H13FN2O4/c1-10(18(20)15(17)19)2-5-12-8-9-14(21-12)22-13-6-3-11(16)4-7-13/h3-4,6-10,20H,1H3,(H2,17,19)
InChIKey
OLZHFFKRBCZHHT-UHFFFAOYSA-N
Compound name
1-[4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

1306
Patents

304.08594 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09322 172.6
[M+Na]+ 327.07516 180.7
[M-H]- 303.07866 175.6
[M+NH4]+ 322.11976 184.7
[M+K]+ 343.04910 177.7
[M+H-H2O]+ 287.08320 157.7
[M+HCOO]- 349.08414 188.7
[M+CH3COO]- 363.09979 211.5
[M+Na-2H]- 325.06061 171.3
[M]+ 304.08539 166.8
[M]- 304.08649 166.8
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