CID 135624064

Brn 4808934

Structural Information

Molecular Formula
C12H15N3O3
SMILES
C/C(=C(/C(=O)NC)\N=NC1=CC=C(C=C1)OC)/O
InChI
InChI=1S/C12H15N3O3/c1-8(16)11(12(17)13-2)15-14-9-4-6-10(18-3)7-5-9/h4-7,16H,1-3H3,(H,13,17)/b11-8+,15-14?
InChIKey
PTZZORNJUQNDTM-QDMIXUNLSA-N
Compound name
(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-N-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11134 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 156.4
[M+Na]+ 272.10056 161.3
[M-H]- 248.10406 161.3
[M+NH4]+ 267.14516 173.1
[M+K]+ 288.07450 161.0
[M+H-H2O]+ 232.10860 148.7
[M+HCOO]- 294.10954 182.8
[M+CH3COO]- 308.12519 203.4
[M+Na-2H]- 270.08601 160.0
[M]+ 249.11079 157.4
[M]- 249.11189 157.4
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.