CID 51060217

1-(2-((4-nitrophenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H23N3O8
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C28H23N3O8/c1-36-25-14-8-19(15-26(25)37-2)28(33)39-24-13-7-18-5-3-4-6-22(18)23(24)16-29-30-27(32)17-38-21-11-9-20(10-12-21)31(34)35/h3-16H,17H2,1-2H3,(H,30,32)/b29-16+
InChIKey
HUKUMXLCDMJNMY-MUFRIFMGSA-N
Compound name
[1-[(E)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.1485 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.15578 223.7
[M+Na]+ 552.13772 225.2
[M-H]- 528.14122 234.3
[M+NH4]+ 547.18232 227.4
[M+K]+ 568.11166 219.5
[M+H-H2O]+ 512.14576 214.7
[M+HCOO]- 574.14670 246.9
[M+CH3COO]- 588.16235 246.9
[M+Na-2H]- 550.12317 228.2
[M]+ 529.14795 228.3
[M]- 529.14905 228.3
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.