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 218.0
[M+Na]+ 509.12386 223.7
[M-H]- 485.12736 228.9
[M+NH4]+ 504.16846 226.4
[M+K]+ 525.09780 217.6
[M+H-H2O]+ 469.13190 206.7
[M+HCOO]- 531.13284 236.5
[M+CH3COO]- 545.14849 243.6
[M+Na-2H]- 507.10931 220.0
[M]+ 486.13409 224.3
[M]- 486.13519 224.3
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.