CID 44230181

Aic-292

Structural Information

Molecular Formula
C19H12Cl2F2N4O2
SMILES
C1C(=O)NCN1C(=O)C2=NN(C(=C2)C3=CC(=CC(=C3)Cl)F)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C19H12Cl2F2N4O2/c20-11-3-10(4-12(22)5-11)17-7-16(19(29)26-8-18(28)24-9-26)25-27(17)13-1-2-15(23)14(21)6-13/h1-7H,8-9H2,(H,24,28)
InChIKey
JPOJKNJIKXMZRB-UHFFFAOYSA-N
Compound name
1-[1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole-3-carbonyl]imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

552
Patents

436.03055 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.03783 195.9
[M+Na]+ 459.01977 207.2
[M-H]- 435.02327 200.4
[M+NH4]+ 454.06437 204.2
[M+K]+ 474.99371 198.0
[M+H-H2O]+ 419.02781 183.6
[M+HCOO]- 481.02875 200.7
[M+CH3COO]- 495.04440 204.0
[M+Na-2H]- 457.00522 189.0
[M]+ 436.03000 195.7
[M]- 436.03110 195.7
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

patents stripe