CID 2921215

Mls001211345

Structural Information

Molecular Formula
C20H18Cl2N2O2
SMILES
CCCC(=O)NC(C1=C(C=C(C=C1)Cl)Cl)C2=C(C3=C(C=CC=N3)C=C2)O
InChI
InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)
InChIKey
VUZPLTKIMHSUFJ-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

388.07452 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08180 187.2
[M+Na]+ 411.06374 195.7
[M-H]- 387.06724 191.4
[M+NH4]+ 406.10834 199.0
[M+K]+ 427.03768 188.0
[M+H-H2O]+ 371.07178 179.8
[M+HCOO]- 433.07272 196.6
[M+CH3COO]- 447.08837 219.5
[M+Na-2H]- 409.04919 189.1
[M]+ 388.07397 191.5
[M]- 388.07507 191.5
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