CID 4601285

Dtxsid901135306

Structural Information

Molecular Formula
C28H23ClN2O4
SMILES
CCCOC1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C28H23ClN2O4/c1-2-17-34-21-14-11-20(12-15-21)27(32)31-30-18-24-22-8-4-3-7-19(22)13-16-26(24)35-28(33)23-9-5-6-10-25(23)29/h3-16,18H,2,17H2,1H3,(H,31,32)
InChIKey
ZEJXUYNYXXPKJY-UHFFFAOYSA-N
Compound name
[1-[[(4-propoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.13464 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14192 218.2
[M+Na]+ 509.12386 233.8
[M+NH4]+ 504.16846 225.1
[M+K]+ 525.09780 223.4
[M-H]- 485.12736 226.0
[M+Na-2H]- 507.10931 227.8
[M]+ 486.13409 223.0
[M]- 486.13519 223.0
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.