CID 45054891

1-(2-(4-propoxybenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C30H28N2O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C30H28N2O6/c1-4-17-37-23-13-9-21(10-14-23)29(33)32-31-19-25-24-8-6-5-7-20(24)11-15-26(25)38-30(34)22-12-16-27(35-2)28(18-22)36-3/h5-16,18-19H,4,17H2,1-3H3,(H,32,33)/b31-19+
InChIKey
XWQQMFORVFBSCK-ZCTHSVRISA-N
Compound name
[1-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.19476 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.20204 225.5
[M+Na]+ 535.18398 229.4
[M-H]- 511.18748 236.4
[M+NH4]+ 530.22858 231.6
[M+K]+ 551.15792 226.4
[M+H-H2O]+ 495.19202 212.6
[M+HCOO]- 557.19296 247.7
[M+CH3COO]- 571.20861 251.7
[M+Na-2H]- 533.16943 226.5
[M]+ 512.19421 232.6
[M]- 512.19531 232.6
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.