CID 1206243

299953-00-7

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N=C(S2)N)O
InChI
InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-
InChIKey
YBHQCJILTOVLHD-YVMONPNESA-N
Compound name
(5Z)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

10
Patents

220.03065 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 145.8
[M+Na]+ 243.01987 155.5
[M-H]- 219.02337 150.4
[M+NH4]+ 238.06447 164.4
[M+K]+ 258.99381 150.4
[M+H-H2O]+ 203.02791 139.5
[M+HCOO]- 265.02885 164.2
[M+CH3COO]- 279.04450 183.6
[M+Na-2H]- 241.00532 146.4
[M]+ 220.03010 144.8
[M]- 220.03120 144.8
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