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]+ 457.15065 208.0
[M+Na]+ 479.13259 213.6
[M-H]- 455.13609 217.0
[M+NH4]+ 474.17719 213.6
[M+K]+ 495.10653 209.7
[M+H-H2O]+ 439.14063 194.6
[M+HCOO]- 501.14157 229.3
[M+CH3COO]- 515.15722 239.2
[M+Na-2H]- 477.11804 212.9
[M]+ 456.14282 212.8
[M]- 456.14392 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.