CID 9688873

1-(2-(3,4,5-trimethoxybenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C30H28N2O8
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC
InChI
InChI=1S/C30H28N2O8/c1-35-24-13-11-19(14-25(24)36-2)30(34)40-23-12-10-18-8-6-7-9-21(18)22(23)17-31-32-29(33)20-15-26(37-3)28(39-5)27(16-20)38-4/h6-17H,1-5H3,(H,32,33)/b31-17+
InChIKey
FVMFCASIMYPPNC-KBVAKVRCSA-N
Compound name
[1-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.1846 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.19188 230.8
[M+Na]+ 567.17382 235.6
[M-H]- 543.17732 242.3
[M+NH4]+ 562.21842 235.8
[M+K]+ 583.14776 234.9
[M+H-H2O]+ 527.18186 217.6
[M+HCOO]- 589.18280 253.1
[M+CH3COO]- 603.19845 258.9
[M+Na-2H]- 565.15927 230.9
[M]+ 544.18405 241.5
[M]- 544.18515 241.5
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.