CID 477864

1-[2-[3-acetyl-6-fluoro-2-(methoxymethoxy)phenyl]cyclopropyl]-3-(5-chloro-2-pyridyl)urea

Structural Information

Molecular Formula
C19H19ClFN3O4
SMILES
CC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Cl)OCOC
InChI
InChI=1S/C19H19ClFN3O4/c1-10(25)12-4-5-14(21)17(18(12)28-9-27-2)13-7-15(13)23-19(26)24-16-6-3-11(20)8-22-16/h3-6,8,13,15H,7,9H2,1-2H3,(H2,22,23,24,26)
InChIKey
BJTGPAWWZAGZQR-UHFFFAOYSA-N
Compound name
1-[2-[3-acetyl-6-fluoro-2-(methoxymethoxy)phenyl]cyclopropyl]-3-(5-chloropyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11208 187.2
[M+Na]+ 430.09402 196.2
[M-H]- 406.09752 195.0
[M+NH4]+ 425.13862 192.6
[M+K]+ 446.06796 189.9
[M+H-H2O]+ 390.10206 178.1
[M+HCOO]- 452.10300 205.0
[M+CH3COO]- 466.11865 228.9
[M+Na-2H]- 428.07947 187.6
[M]+ 407.10425 194.4
[M]- 407.10535 194.4
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.