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]+ 401.181956 194.2
[M+Na]+ 423.163898 197.5
[M-H]- 399.167404 203.2
[M+NH4]+ 418.208503 204.6
[M+K]+ 439.137838 197.5
[M+H-H2O]+ 383.171940 183.3
[M+HCOO]- 445.172881 222.0
[M+CH3COO]- 459.188531 238.4
[M+Na-2H]- 421.149346 196.3
[M]+ 400.17413142 200.2
[M]- 400.17522858 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.