CID 9585870

416871-72-2

Structural Information

Molecular Formula
C14H12BrN3O3
SMILES
C1=CC(=CC(=C1)Br)C(=O)NCC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C14H12BrN3O3/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKey
MTUCBVLCDDFRMQ-CAOOACKPSA-N
Compound name
3-bromo-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.01348 172.9
[M+Na]+ 371.99542 180.8
[M-H]- 347.99892 183.4
[M+NH4]+ 367.04002 189.2
[M+K]+ 387.96936 170.6
[M+H-H2O]+ 332.00346 169.3
[M+HCOO]- 394.00440 197.7
[M+CH3COO]- 408.02005 212.5
[M+Na-2H]- 369.98087 178.3
[M]+ 349.00565 192.1
[M]- 349.00675 192.1
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.