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]+ 290.113536 163.2
[M+Na]+ 312.095478 172.1
[M-H]- 288.098984 168.8
[M+NH4]+ 307.140083 180.8
[M+K]+ 328.069418 170.6
[M+H-H2O]+ 272.103520 155.6
[M+HCOO]- 334.104461 189.9
[M+CH3COO]- 348.120111 207.7
[M+Na-2H]- 310.080926 167.6
[M]+ 289.10571142 170.1
[M]- 289.10680858 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.