CID 492704

Pett deriv. 15

Structural Information

Molecular Formula
C15H13BrFN3O2
SMILES
C1=CC=C(C(=C1)C(=O)CCNC(=O)NC2=NC=C(C=C2)Br)F
InChI
InChI=1S/C15H13BrFN3O2/c16-10-5-6-14(19-9-10)20-15(22)18-8-7-13(21)11-3-1-2-4-12(11)17/h1-6,9H,7-8H2,(H2,18,19,20,22)
InChIKey
ZXZVCBMMKZOPKU-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)-3-[3-(2-fluorophenyl)-3-oxopropyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.01752 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02480 173.4
[M+Na]+ 388.00674 182.0
[M-H]- 364.01024 179.6
[M+NH4]+ 383.05134 187.3
[M+K]+ 403.98068 169.4
[M+H-H2O]+ 348.01478 169.1
[M+HCOO]- 410.01572 193.2
[M+CH3COO]- 424.03137 213.7
[M+Na-2H]- 385.99219 178.2
[M]+ 365.01697 190.1
[M]- 365.01807 190.1
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.