CID 45054924

765911-98-6

Structural Information

Molecular Formula
C19H12Cl2N4O3
SMILES
C1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)/C=N/NC(=O)C3=NC=CN=C3
InChI
InChI=1S/C19H12Cl2N4O3/c20-13-4-5-15(16(21)9-13)19(27)28-14-3-1-2-12(8-14)10-24-25-18(26)17-11-22-6-7-23-17/h1-11H,(H,25,26)/b24-10+
InChIKey
RQWRCRGHDJNKSH-YSURURNPSA-N
Compound name
[3-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.02866 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.03594 191.5
[M+Na]+ 437.01788 199.7
[M-H]- 413.02138 199.2
[M+NH4]+ 432.06248 200.0
[M+K]+ 452.99182 193.2
[M+H-H2O]+ 397.02592 180.8
[M+HCOO]- 459.02686 205.7
[M+CH3COO]- 473.04251 225.3
[M+Na-2H]- 435.00333 195.5
[M]+ 414.02811 196.8
[M]- 414.02921 196.8
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.