CID 3061957

80026-34-2

Structural Information

Molecular Formula
C15H12Cl2N4O
SMILES
C1CN(C(=N1)NC2=C(C=CC=C2Cl)Cl)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C15H12Cl2N4O/c16-11-4-1-5-12(17)13(11)20-15-19-7-8-21(15)14(22)10-3-2-6-18-9-10/h1-6,9H,7-8H2,(H,19,20)
InChIKey
SXTLDQYWSNSFBS-UHFFFAOYSA-N
Compound name
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

334.03882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.04610 174.0
[M+Na]+ 357.02804 183.2
[M-H]- 333.03154 179.1
[M+NH4]+ 352.07264 186.1
[M+K]+ 373.00198 176.0
[M+H-H2O]+ 317.03608 163.8
[M+HCOO]- 379.03702 185.1
[M+CH3COO]- 393.05267 184.1
[M+Na-2H]- 355.01349 175.9
[M]+ 334.03827 175.4
[M]- 334.03937 175.4
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

patents stripe