CID 51060838

3-br-n-(2-oxo-2-(2-((4-oxo-4h-chromen-3-yl)methylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C19H14BrN3O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C19H14BrN3O4/c20-14-5-3-4-12(8-14)19(26)21-10-17(24)23-22-9-13-11-27-16-7-2-1-6-15(16)18(13)25/h1-9,11H,10H2,(H,21,26)(H,23,24)/b22-9+
InChIKey
NTNMIBLLNQQNKR-LSFURLLWSA-N
Compound name
3-bromo-N-[2-oxo-2-[(2E)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.01678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.02406 189.0
[M+Na]+ 450.00600 197.2
[M-H]- 426.00950 200.1
[M+NH4]+ 445.05060 201.3
[M+K]+ 465.97994 186.6
[M+H-H2O]+ 410.01404 184.4
[M+HCOO]- 472.01498 211.1
[M+CH3COO]- 486.03063 228.6
[M+Na-2H]- 447.99145 195.8
[M]+ 427.01623 209.2
[M]- 427.01733 209.2
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.