CID 49871869

Cfg920

Structural Information

Molecular Formula
C14H13ClN4O
SMILES
CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC(=NC=C3)Cl
InChI
InChI=1S/C14H13ClN4O/c1-10-2-4-16-9-12(10)19-7-6-18(14(19)20)11-3-5-17-13(15)8-11/h2-5,8-9H,6-7H2,1H3
InChIKey
ZVIFCOOHWGNPHJ-UHFFFAOYSA-N
Compound name
1-(2-chloropyridin-4-yl)-3-(4-methylpyridin-3-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

550
Patents

288.0778 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08508 165.8
[M+Na]+ 311.06702 176.1
[M-H]- 287.07052 170.4
[M+NH4]+ 306.11162 178.4
[M+K]+ 327.04096 169.6
[M+H-H2O]+ 271.07506 154.9
[M+HCOO]- 333.07600 179.4
[M+CH3COO]- 347.09165 176.7
[M+Na-2H]- 309.05247 167.5
[M]+ 288.07725 166.2
[M]- 288.07835 166.2
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