CID 5353454

Bw b70c

Structural Information

Molecular Formula
C17H17FN2O3
SMILES
CC(/C=C/C1=CC(=CC=C1)OC2=CC=C(C=C2)F)N(C(=O)N)O
InChI
InChI=1S/C17H17FN2O3/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/h2-12,22H,1H3,(H2,19,21)/b6-5+
InChIKey
UAIYNMRLUHHRMF-AATRIKPKSA-N
Compound name
1-[(E)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

98
Patents

316.1223 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12958 173.3
[M+Na]+ 339.11152 178.3
[M-H]- 315.11502 178.0
[M+NH4]+ 334.15612 186.3
[M+K]+ 355.08546 175.2
[M+H-H2O]+ 299.11956 163.8
[M+HCOO]- 361.12050 195.0
[M+CH3COO]- 375.13615 211.4
[M+Na-2H]- 337.09697 173.8
[M]+ 316.12175 171.5
[M]- 316.12285 171.5
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