CID 5175866

624726-26-7

Structural Information

Molecular Formula
C14H15N3O4
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C
InChI
InChI=1S/C14H15N3O4/c1-3-21-12(19)8-17-11-7-5-4-6-10(11)13(14(17)20)16-15-9(2)18/h4-7,20H,3,8H2,1-2H3
InChIKey
NTFKZZAQCYGNDP-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(acetyldiazenyl)-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10626 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 164.5
[M+Na]+ 312.09548 174.6
[M+NH4]+ 307.14008 170.0
[M+K]+ 328.06942 171.8
[M-H]- 288.09898 165.2
[M+Na-2H]- 310.08093 168.4
[M]+ 289.10571 165.7
[M]- 289.10681 165.7
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.