CID 51060552

1-(2-(((3,4-dimethoxybenzoyl)amino)acetyl)carbohydrazonoyl)-2-naphthyl benzoate

Structural Information

Molecular Formula
C29H25N3O6
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C29H25N3O6/c1-36-25-15-13-21(16-26(25)37-2)28(34)30-18-27(33)32-31-17-23-22-11-7-6-8-19(22)12-14-24(23)38-29(35)20-9-4-3-5-10-20/h3-17H,18H2,1-2H3,(H,30,34)(H,32,33)/b31-17+
InChIKey
SHKNKKQGFBLHQN-KBVAKVRCSA-N
Compound name
[1-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.17435 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.18163 221.5
[M+Na]+ 534.16357 224.1
[M-H]- 510.16707 232.3
[M+NH4]+ 529.20817 226.9
[M+K]+ 550.13751 221.6
[M+H-H2O]+ 494.17161 208.8
[M+HCOO]- 556.17255 244.4
[M+CH3COO]- 570.18820 252.6
[M+Na-2H]- 532.14902 223.7
[M]+ 511.17380 226.0
[M]- 511.17490 226.0
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.