CID 135537218

4-bromo-3-oxo-2-(o-tolyl-hydrazono)-butyric acid ethyl ester

Structural Information

Molecular Formula
C13H15BrN2O3
SMILES
CCOC(=O)C(=C(CBr)O)N=NC1=CC=CC=C1C
InChI
InChI=1S/C13H15BrN2O3/c1-3-19-13(18)12(11(17)8-14)16-15-10-7-5-4-6-9(10)2/h4-7,17H,3,8H2,1-2H3
InChIKey
BCTQJPGGYYTMHC-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-3-hydroxy-2-[(2-methylphenyl)diazenyl]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03388 165.6
[M+Na]+ 349.01582 173.7
[M-H]- 325.01932 172.4
[M+NH4]+ 344.06042 183.1
[M+K]+ 364.98976 163.3
[M+H-H2O]+ 309.02386 163.0
[M+HCOO]- 371.02480 187.7
[M+CH3COO]- 385.04045 209.7
[M+Na-2H]- 347.00127 169.2
[M]+ 326.02605 185.8
[M]- 326.02715 185.8
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.