CID 376595

Nsc657607

Structural Information

Molecular Formula
C15H14N4O3S
SMILES
CCOC(=O)CC1=CSC(=N1)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C15H14N4O3S/c1-2-22-12(20)7-9-8-23-15(16-9)19-18-13-10-5-3-4-6-11(10)17-14(13)21/h3-6,8,17,21H,2,7H2,1H3
InChIKey
BPCFKWDRAAGODG-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.07867 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08595 173.0
[M+Na]+ 353.06789 182.8
[M-H]- 329.07139 179.9
[M+NH4]+ 348.11249 189.3
[M+K]+ 369.04183 178.7
[M+H-H2O]+ 313.07593 165.6
[M+HCOO]- 375.07687 194.5
[M+CH3COO]- 389.09252 208.9
[M+Na-2H]- 351.05334 175.2
[M]+ 330.07812 179.9
[M]- 330.07922 179.9
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

patents stripe