CID 468174

1-(5-chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea

Structural Information

Molecular Formula
C17H16ClF2N3O2
SMILES
CCOC1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Cl)F
InChI
InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)
InChIKey
QLRFOQAJDSEUSU-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-pyridinyl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

367.0899 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09718 175.4
[M+Na]+ 390.07912 185.7
[M-H]- 366.08262 182.0
[M+NH4]+ 385.12372 182.7
[M+K]+ 406.05306 178.2
[M+H-H2O]+ 350.08716 165.5
[M+HCOO]- 412.08810 193.2
[M+CH3COO]- 426.10375 221.4
[M+Na-2H]- 388.06457 177.2
[M]+ 367.08935 179.3
[M]- 367.09045 179.3
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.