CID 51060396

2-((oxo(2-((4-oxo-4h-chromen-3-yl)methylene)hydrazino)acetyl)amino)-n-ph-benzamide

Structural Information

Molecular Formula
C25H18N4O5
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C(=O)N/N=C/C3=COC4=CC=CC=C4C3=O
InChI
InChI=1S/C25H18N4O5/c30-22-16(15-34-21-13-7-5-11-19(21)22)14-26-29-25(33)24(32)28-20-12-6-4-10-18(20)23(31)27-17-8-2-1-3-9-17/h1-15H,(H,27,31)(H,28,32)(H,29,33)/b26-14+
InChIKey
GBPFTOPQKROWKA-VULFUBBASA-N
Compound name
N'-[(E)-(4-oxochromen-3-yl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.12772 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.13500 206.3
[M+Na]+ 477.11694 210.2
[M-H]- 453.12044 218.3
[M+NH4]+ 472.16154 212.6
[M+K]+ 493.09088 207.7
[M+H-H2O]+ 437.12498 194.3
[M+HCOO]- 499.12592 230.9
[M+CH3COO]- 513.14157 242.4
[M+Na-2H]- 475.10239 212.1
[M]+ 454.12717 207.2
[M]- 454.12827 207.2
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.