CID 5779747

Nsc328567

Structural Information

Molecular Formula
C23H21N5O4
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1O)/C2=NC(=CC=C2)/C(=N/NC(=O)C3=CC=CC=C3O)/C
InChI
InChI=1S/C23H21N5O4/c1-14(25-27-22(31)16-8-3-5-12-20(16)29)18-10-7-11-19(24-18)15(2)26-28-23(32)17-9-4-6-13-21(17)30/h3-13,29-30H,1-2H3,(H,27,31)(H,28,32)/b25-14+,26-15+
InChIKey
LZZXYEOYZNOUPB-LVSXPEEVSA-N
Compound name
2-hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.15936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16664 201.8
[M+Na]+ 454.14858 204.3
[M-H]- 430.15208 210.1
[M+NH4]+ 449.19318 207.7
[M+K]+ 470.12252 201.1
[M+H-H2O]+ 414.15662 190.3
[M+HCOO]- 476.15756 224.6
[M+CH3COO]- 490.17321 238.5
[M+Na-2H]- 452.13403 203.7
[M]+ 431.15881 200.4
[M]- 431.15991 200.4
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.