CID 3521239

624726-25-6

Structural Information

Molecular Formula
C15H17N3O5
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)OCC
InChI
InChI=1S/C15H17N3O5/c1-3-22-12(19)9-18-11-8-6-5-7-10(11)13(14(18)20)16-17-15(21)23-4-2/h5-8,20H,3-4,9H2,1-2H3
InChIKey
ITYVBFBXHRXPSW-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(ethoxycarbonyldiazenyl)-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.11682 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12410 172.0
[M+Na]+ 342.10604 181.4
[M+NH4]+ 337.15064 176.7
[M+K]+ 358.07998 178.9
[M-H]- 318.10954 172.1
[M+Na-2H]- 340.09149 175.1
[M]+ 319.11627 172.8
[M]- 319.11737 172.8
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.