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]+ 320.124096 170.4
[M+Na]+ 342.106038 178.6
[M-H]- 318.109544 175.7
[M+NH4]+ 337.150643 186.6
[M+K]+ 358.079978 177.6
[M+H-H2O]+ 302.114080 162.4
[M+HCOO]- 364.115021 196.8
[M+CH3COO]- 378.130671 212.2
[M+Na-2H]- 340.091486 174.4
[M]+ 319.11627142 178.9
[M]- 319.11736858 178.9
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.