CID 9574464

1-naphthalenecarboxaldehyde, 4-methoxy-, (7-chloro-4-quinolinyl)hydrazone

Structural Information

Molecular Formula
C21H16ClN3O
SMILES
COC1=CC=C(C2=CC=CC=C21)/C=N/NC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C21H16ClN3O/c1-26-21-9-6-14(16-4-2-3-5-17(16)21)13-24-25-19-10-11-23-20-12-15(22)7-8-18(19)20/h2-13H,1H3,(H,23,25)/b24-13+
InChIKey
XFQSSBKHQFSBOT-ZMOGYAJESA-N
Compound name
7-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.09818 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10546 183.7
[M+Na]+ 384.08740 194.3
[M-H]- 360.09090 192.2
[M+NH4]+ 379.13200 198.0
[M+K]+ 400.06134 186.5
[M+H-H2O]+ 344.09544 173.5
[M+HCOO]- 406.09638 204.2
[M+CH3COO]- 420.11203 195.0
[M+Na-2H]- 382.07285 193.1
[M]+ 361.09763 189.4
[M]- 361.09873 189.4
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.