CID 9574473

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

Structural Information

Molecular Formula
C17H11Cl2N3O2
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC3=C4C(=CC(=CC4=NC=C3)Cl)Cl
InChI
InChI=1S/C17H11Cl2N3O2/c18-11-6-12(19)17-13(3-4-20-14(17)7-11)22-21-8-10-1-2-15-16(5-10)24-9-23-15/h1-8H,9H2,(H,20,22)/b21-8+
InChIKey
JYRYIQAWZSQKLM-ODCIPOBUSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5,7-dichloroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.02283 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03011 182.9
[M+Na]+ 382.01205 193.7
[M-H]- 358.01555 191.9
[M+NH4]+ 377.05665 196.9
[M+K]+ 397.98599 188.8
[M+H-H2O]+ 342.02009 174.9
[M+HCOO]- 404.02103 195.8
[M+CH3COO]- 418.03668 194.2
[M+Na-2H]- 379.99750 189.1
[M]+ 359.02228 189.3
[M]- 359.02338 189.3
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.