CID 315526

Nsc240865

Structural Information

Molecular Formula
C10H9N3O2S
SMILES
COC1=CC(=C(C=C1)N=NC2=NC=CS2)O
InChI
InChI=1S/C10H9N3O2S/c1-15-7-2-3-8(9(14)6-7)12-13-10-11-4-5-16-10/h2-6,14H,1H3
InChIKey
GPYNQMCWWYNDBW-UHFFFAOYSA-N
Compound name
5-methoxy-2-(1,3-thiazol-2-yldiazenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

235.04155 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.048826 147.5
[M+Na]+ 258.030768 157.1
[M-H]- 234.034274 155.4
[M+NH4]+ 253.075373 166.7
[M+K]+ 274.004708 154.3
[M+H-H2O]+ 218.038810 139.8
[M+HCOO]- 280.039751 171.8
[M+CH3COO]- 294.055401 193.5
[M+Na-2H]- 256.016216 152.3
[M]+ 235.04100142 152.1
[M]- 235.04209858 152.1
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

patents stripe