CID 135801639

Brn 6027819

Structural Information

Molecular Formula
C27H21N5O6
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC(=O)C=C(N2C3=CC=C(C=C3)O)C(=O)N/N=C/C4=CC=CC=C4O)O
InChI
InChI=1S/C27H21N5O6/c33-20-11-9-19(10-12-20)32-22(26(37)30-28-15-17-5-1-3-7-24(17)35)13-21(34)14-23(32)27(38)31-29-16-18-6-2-4-8-25(18)36/h1-16,33,35-36H,(H,30,37)(H,31,38)/b28-15+,29-16+
InChIKey
DVCBUQGGSREBKJ-QSXCDPBRSA-N
Compound name
1-(4-hydroxyphenyl)-2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxopyridine-2,6-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.14917 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.15645 222.0
[M+Na]+ 534.13839 233.7
[M+NH4]+ 529.18299 224.2
[M+K]+ 550.11233 227.9
[M-H]- 510.14189 228.8
[M+Na-2H]- 532.12384 230.6
[M]+ 511.14862 225.0
[M]- 511.14972 225.0
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.