CID 9659048

769150-75-6

Structural Information

Molecular Formula
C23H14Cl2N4O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=NC=CN=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H14Cl2N4O3/c24-15-6-7-17(19(25)11-15)23(31)32-21-8-5-14-3-1-2-4-16(14)18(21)12-28-29-22(30)20-13-26-9-10-27-20/h1-13H,(H,29,30)/b28-12+
InChIKey
OSDHNNFVPIMJQJ-KVSWJAHQSA-N
Compound name
[1-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.04428 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.05156 204.8
[M+Na]+ 487.03350 213.2
[M-H]- 463.03700 213.0
[M+NH4]+ 482.07810 212.1
[M+K]+ 503.00744 206.0
[M+H-H2O]+ 447.04154 193.3
[M+HCOO]- 509.04248 217.2
[M+CH3COO]- 523.05813 213.1
[M+Na-2H]- 485.01895 209.2
[M]+ 464.04373 210.7
[M]- 464.04483 210.7
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

No patent data available for this compound.