CID 9639327

1-(2-((3-methoxyanilino)(oxo)ac)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C28H23N3O6
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC(=CC=C4)OC
InChI
InChI=1S/C28H23N3O6/c1-35-21-13-10-19(11-14-21)28(34)37-25-15-12-18-6-3-4-9-23(18)24(25)17-29-31-27(33)26(32)30-20-7-5-8-22(16-20)36-2/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKey
XPOMQNZFVFTGSL-STBIYBPSSA-N
Compound name
[1-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.1587 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.16598 217.5
[M+Na]+ 520.14792 220.7
[M-H]- 496.15142 228.5
[M+NH4]+ 515.19252 223.6
[M+K]+ 536.12186 218.3
[M+H-H2O]+ 480.15596 205.1
[M+HCOO]- 542.15690 240.8
[M+CH3COO]- 556.17255 249.2
[M+Na-2H]- 518.13337 220.2
[M]+ 497.15815 221.7
[M]- 497.15925 221.7
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.