CID 3556193

624726-32-5

Structural Information

Molecular Formula
C21H21N3O6
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)CC3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C21H21N3O6/c1-3-30-19(27)12-24-15-7-5-4-6-14(15)20(21(24)28)23-22-18(26)11-13-8-9-16(25)17(10-13)29-2/h4-10,25,28H,3,11-12H2,1-2H3
InChIKey
ICVAKFWYWXVENS-UHFFFAOYSA-N
Compound name
ethyl 2-[2-hydroxy-3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]diazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.14304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15032 194.6
[M+Na]+ 434.13226 202.1
[M-H]- 410.13576 202.0
[M+NH4]+ 429.17686 206.0
[M+K]+ 450.10620 199.7
[M+H-H2O]+ 394.14030 185.3
[M+HCOO]- 456.14124 218.8
[M+CH3COO]- 470.15689 229.4
[M+Na-2H]- 432.11771 196.4
[M]+ 411.14249 203.0
[M]- 411.14359 203.0
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.