CID 19063227

Schembl251620

Structural Information

Molecular Formula
C18H17FN2O4
SMILES
C1C(C=CC1OC2=CC=CC(=C2)OC3=CC=C(C=C3)F)N(C(=O)N)O
InChI
InChI=1S/C18H17FN2O4/c19-12-4-7-14(8-5-12)24-15-2-1-3-16(11-15)25-17-9-6-13(10-17)21(23)18(20)22/h1-9,11,13,17,23H,10H2,(H2,20,22)
InChIKey
CJFQUWMJNVTKDJ-UHFFFAOYSA-N
Compound name
1-[4-[3-(4-fluorophenoxy)phenoxy]cyclopent-2-en-1-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

344.11725 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.124526 176.3
[M+Na]+ 367.106468 181.5
[M-H]- 343.109974 184.6
[M+NH4]+ 362.151073 189.8
[M+K]+ 383.080408 178.8
[M+H-H2O]+ 327.114510 166.6
[M+HCOO]- 389.115451 199.4
[M+CH3COO]- 403.131101 214.5
[M+Na-2H]- 365.091916 176.3
[M]+ 344.11670142 175.0
[M]- 344.11779858 175.0
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

patents stripe