CID 475282

Urea-pett deriv. 4

Structural Information

Molecular Formula
C17H17ClFN3O3
SMILES
CC(=O)C1=C(C(=C(C=C1)F)CCNC(=O)NC2=NC=C(C=C2)Cl)OC
InChI
InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(19)13(16(12)25-2)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
InChIKey
CZVZTRQYAQOLCN-UHFFFAOYSA-N
Compound name
1-[2-(3-acetyl-6-fluoro-2-methoxyphenyl)ethyl]-3-(5-chloropyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.09424 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10152 182.6
[M+Na]+ 388.08346 190.5
[M-H]- 364.08696 187.0
[M+NH4]+ 383.12806 194.2
[M+K]+ 404.05740 185.3
[M+H-H2O]+ 348.09150 173.3
[M+HCOO]- 410.09244 200.1
[M+CH3COO]- 424.10809 219.8
[M+Na-2H]- 386.06891 183.7
[M]+ 365.09369 186.2
[M]- 365.09479 186.2
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

No patent data available for this compound.