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 163.2
[M+Na]+ 312.09548 172.1
[M-H]- 288.09898 168.8
[M+NH4]+ 307.14008 180.8
[M+K]+ 328.06942 170.6
[M+H-H2O]+ 272.10352 155.6
[M+HCOO]- 334.10446 189.9
[M+CH3COO]- 348.12011 207.7
[M+Na-2H]- 310.08093 167.6
[M]+ 289.10571 170.1
[M]- 289.10681 170.1
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.