CID 4292855

Dtxsid601123336

Structural Information

Molecular Formula
C26H24Cl2N2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=C(C=C3)Cl)Cl)OCC
InChI
InChI=1S/C26H24Cl2N2O5/c1-3-13-34-20-9-6-18(7-10-20)26(32)35-23-12-5-17(14-24(23)33-4-2)16-29-30-25(31)19-8-11-21(27)22(28)15-19/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,31)
InChIKey
VQGWLDBZSVSFBB-UHFFFAOYSA-N
Compound name
[4-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1062 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.11348 221.2
[M+Na]+ 537.09542 227.8
[M-H]- 513.09892 231.3
[M+NH4]+ 532.14002 228.8
[M+K]+ 553.06936 222.2
[M+H-H2O]+ 497.10346 211.4
[M+HCOO]- 559.10440 236.2
[M+CH3COO]- 573.12005 246.8
[M+Na-2H]- 535.08087 219.9
[M]+ 514.10565 231.8
[M]- 514.10675 231.8
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.