CID 9604864

N-[(e)-(3-phenoxyphenyl)methyleneamino]-n-(pyridine-4-carbonyl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C24H17N5O3
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=N/N(C(=O)C3=CC=NC=C3)C(=O)C4=NC=CN=C4
InChI
InChI=1S/C24H17N5O3/c30-23(19-9-11-25-12-10-19)29(24(31)22-17-26-13-14-27-22)28-16-18-5-4-8-21(15-18)32-20-6-2-1-3-7-20/h1-17H/b28-16+
InChIKey
KCJCZCNFIAGBSI-LQKURTRISA-N
Compound name
N-[(E)-(3-phenoxyphenyl)methylideneamino]-N-(pyridine-4-carbonyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.13315 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.14043 199.1
[M+Na]+ 446.12237 203.0
[M-H]- 422.12587 209.4
[M+NH4]+ 441.16697 203.2
[M+K]+ 462.09631 198.2
[M+H-H2O]+ 406.13041 184.4
[M+HCOO]- 468.13135 221.0
[M+CH3COO]- 482.14700 207.0
[M+Na-2H]- 444.10782 205.5
[M]+ 423.13260 199.7
[M]- 423.13370 199.7
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.