CID 3061958

1-(quinolin-2-oyl)-2-(2',6'-dichlorophenylamino)-2-imidazoline

Structural Information

Molecular Formula
C19H14Cl2N4O
SMILES
C1CN(C(=N1)NC2=C(C=CC=C2Cl)Cl)C(=O)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H14Cl2N4O/c20-13-5-3-6-14(21)17(13)24-19-22-10-11-25(19)18(26)16-9-8-12-4-1-2-7-15(12)23-16/h1-9H,10-11H2,(H,22,24)
InChIKey
ZUOGANHZRCNEBW-UHFFFAOYSA-N
Compound name
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.05447 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06175 187.9
[M+Na]+ 407.04369 197.6
[M-H]- 383.04719 193.9
[M+NH4]+ 402.08829 199.0
[M+K]+ 423.01763 189.2
[M+H-H2O]+ 367.05173 177.1
[M+HCOO]- 429.05267 197.3
[M+CH3COO]- 443.06832 197.1
[M+Na-2H]- 405.02914 189.8
[M]+ 384.05392 190.1
[M]- 384.05502 190.1
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