CID 396300

Nsc702013

Structural Information

Molecular Formula
C12H11N3O4
SMILES
CCOC(=O)C(=O)N=NC1=C(NC2=CC=CC=C21)O
InChI
InChI=1S/C12H11N3O4/c1-2-19-12(18)11(17)15-14-9-7-5-3-4-6-8(7)13-10(9)16/h3-6,13,16H,2H2,1H3
InChIKey
YGEPQINLIMIKPR-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

261.07495 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08223 154.3
[M+Na]+ 284.06417 162.9
[M-H]- 260.06767 158.5
[M+NH4]+ 279.10877 172.1
[M+K]+ 300.03811 160.9
[M+H-H2O]+ 244.07221 147.1
[M+HCOO]- 306.07315 180.2
[M+CH3COO]- 320.08880 197.4
[M+Na-2H]- 282.04962 160.0
[M]+ 261.07440 158.2
[M]- 261.07550 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.