CID 9636026

764653-43-2

Structural Information

Molecular Formula
C25H20N4O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=NC=CN=C4)OC
InChI
InChI=1S/C25H20N4O5/c1-32-22-10-8-17(13-23(22)33-2)25(31)34-21-9-7-16-5-3-4-6-18(16)19(21)14-28-29-24(30)20-15-26-11-12-27-20/h3-15H,1-2H3,(H,29,30)/b28-14+
InChIKey
RIJACNHRVXHKGP-CCVNUDIWSA-N
Compound name
[1-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.14337 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.150646 208.0
[M+Na]+ 479.132588 213.6
[M-H]- 455.136094 217.0
[M+NH4]+ 474.177193 213.6
[M+K]+ 495.106528 209.7
[M+H-H2O]+ 439.140630 194.6
[M+HCOO]- 501.141571 229.3
[M+CH3COO]- 515.157221 239.2
[M+Na-2H]- 477.118036 212.9
[M]+ 456.14282142 212.8
[M]- 456.14391858 212.8
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.