CID 9637529

769152-48-9

Structural Information

Molecular Formula
C27H19Cl2N3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H19Cl2N3O5/c1-36-24-13-16(9-12-23(24)37-27(35)18-10-11-20(28)21(29)14-18)15-30-32-26(34)25(33)31-22-8-4-6-17-5-2-3-7-19(17)22/h2-15H,1H3,(H,31,33)(H,32,34)/b30-15+
InChIKey
SMNVBXFJXQTRGK-FJEPWZHXSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.0702 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.07748 223.3
[M+Na]+ 558.05942 229.7
[M-H]- 534.06292 234.2
[M+NH4]+ 553.10402 230.3
[M+K]+ 574.03336 224.5
[M+H-H2O]+ 518.06746 213.4
[M+HCOO]- 580.06840 237.8
[M+CH3COO]- 594.08405 251.9
[M+Na-2H]- 556.04487 224.5
[M]+ 535.06965 231.3
[M]- 535.07075 231.3
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.