CID 475281

N-[2-(2-chloro-3-ethoxy-6-fluorophenethyl)]-n'-[2-(5-bromopyridyl)]urea

Structural Information

Molecular Formula
C17H19BrClN3O3
SMILES
CCOC1=C(C(=C(C=C1)OC)CCNC(=O)NC2=NC=C(C=C2)Br)Cl
InChI
InChI=1S/C17H19BrClN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)
InChIKey
UFMNMGRNHYUJIB-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-methoxyphenyl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.02982 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.03710 186.7
[M+Na]+ 450.01904 196.9
[M-H]- 426.02254 194.3
[M+NH4]+ 445.06364 199.8
[M+K]+ 465.99298 183.3
[M+H-H2O]+ 410.02708 183.5
[M+HCOO]- 472.02802 203.4
[M+CH3COO]- 486.04367 224.3
[M+Na-2H]- 448.00449 190.6
[M]+ 427.02927 210.4
[M]- 427.03037 210.4
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

No patent data available for this compound.