CID 106008

67893-44-1

Structural Information

Molecular Formula
C20H24N4O5
SMILES
CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)N=NN(C)CC(=O)O
InChI
InChI=1S/C20H24N4O5/c1-4-28-17-12-16(22-23-24(3)13-19(25)26)18(29-5-2)11-15(17)21-20(27)14-9-7-6-8-10-14/h6-12H,4-5,13H2,1-3H3,(H,21,27)(H,25,26)
InChIKey
ZUALJMVDIMHVIT-UHFFFAOYSA-N
Compound name
2-[[(4-benzamido-2,5-diethoxyphenyl)diazenyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17468 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18196 194.2
[M+Na]+ 423.16390 197.5
[M-H]- 399.16740 203.2
[M+NH4]+ 418.20850 204.6
[M+K]+ 439.13784 197.5
[M+H-H2O]+ 383.17194 183.3
[M+HCOO]- 445.17288 222.0
[M+CH3COO]- 459.18853 238.4
[M+Na-2H]- 421.14935 196.3
[M]+ 400.17413 200.2
[M]- 400.17523 200.2
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.