CID 135624060

Brn 4808862

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
C/C(=C(/C(=O)NC)\N=NC1=CC=CC=C1Cl)/O
InChI
InChI=1S/C11H12ClN3O2/c1-7(16)10(11(17)13-2)15-14-9-6-4-3-5-8(9)12/h3-6,16H,1-2H3,(H,13,17)/b10-7+,15-14?
InChIKey
QLRRMFNAYBZPKR-ZPWSSGIBSA-N
Compound name
(E)-2-[(2-chlorophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0618 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 156.4
[M+Na]+ 276.05102 162.7
[M-H]- 252.05452 161.4
[M+NH4]+ 271.09562 174.0
[M+K]+ 292.02496 159.9
[M+H-H2O]+ 236.05906 150.2
[M+HCOO]- 298.06000 178.5
[M+CH3COO]- 312.07565 201.8
[M+Na-2H]- 274.03647 159.9
[M]+ 253.06125 157.9
[M]- 253.06235 157.9
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.