CID 9574475

1,3-benzodioxole-5-carboxaldehyde, (5,7-dichloro-2-methyl-4-quinolinyl)hydrazone

Structural Information

Molecular Formula
C18H13Cl2N3O2
SMILES
CC1=CC(=C2C(=CC(=CC2=N1)Cl)Cl)N/N=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H13Cl2N3O2/c1-10-4-15(18-13(20)6-12(19)7-14(18)22-10)23-21-8-11-2-3-16-17(5-11)25-9-24-16/h2-8H,9H2,1H3,(H,22,23)/b21-8+
InChIKey
SWTSPXSCZUWTDM-ODCIPOBUSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5,7-dichloro-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.03848 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04576 189.0
[M+Na]+ 396.02770 200.2
[M-H]- 372.03120 198.2
[M+NH4]+ 391.07230 202.7
[M+K]+ 412.00164 195.1
[M+H-H2O]+ 356.03574 180.9
[M+HCOO]- 418.03668 201.5
[M+CH3COO]- 432.05233 200.1
[M+Na-2H]- 394.01315 193.8
[M]+ 373.03793 196.0
[M]- 373.03903 196.0
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

No patent data available for this compound.