CID 468173

Schembl6906802

Structural Information

Molecular Formula
C17H16Cl2FN3O2
SMILES
CCOC1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)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
APIVDBOZFLBVFN-UHFFFAOYSA-N
Compound name
1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)cyclopropyl]-3-(5-chloropyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

383.06036 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06764 177.7
[M+Na]+ 406.04958 188.0
[M-H]- 382.05308 184.6
[M+NH4]+ 401.09418 184.9
[M+K]+ 422.02352 180.2
[M+H-H2O]+ 366.05762 169.3
[M+HCOO]- 428.05856 191.6
[M+CH3COO]- 442.07421 222.7
[M+Na-2H]- 404.03503 179.3
[M]+ 383.05981 183.7
[M]- 383.06091 183.7
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

patents stripe