CID 9658089

477728-85-1

Structural Information

Molecular Formula
C22H18N4O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=NC=CN=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C22H18N4O4/c1-29-20-13-17(14-25-26-22(28)18-15-23-11-12-24-18)7-9-19(20)30-21(27)10-8-16-5-3-2-4-6-16/h2-15H,1H3,(H,26,28)/b10-8+,25-14+
InChIKey
GBEVBLMAKLGOKI-HWBYCEQYSA-N
Compound name
[2-methoxy-4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14008 195.2
[M+Na]+ 425.12202 200.1
[M-H]- 401.12552 203.1
[M+NH4]+ 420.16662 202.1
[M+K]+ 441.09596 195.4
[M+H-H2O]+ 385.13006 182.6
[M+HCOO]- 447.13100 218.4
[M+CH3COO]- 461.14665 226.4
[M+Na-2H]- 423.10747 199.7
[M]+ 402.13225 197.5
[M]- 402.13335 197.5
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.