CID 1551236

Mls002704089

Structural Information

Molecular Formula
C10H8N2OS
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N
InChI
InChI=1S/C10H8N2OS/c11-10-12-9(13)8(14-10)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13)/b8-6-
InChIKey
SRILECHSVYTLLS-VURMDHGXSA-N
Compound name
(5Z)-2-amino-5-benzylidene-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.03574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04302 142.3
[M+Na]+ 227.02496 151.8
[M-H]- 203.02846 148.1
[M+NH4]+ 222.06956 162.1
[M+K]+ 242.99890 147.1
[M+H-H2O]+ 187.03300 135.7
[M+HCOO]- 249.03394 162.1
[M+CH3COO]- 263.04959 155.7
[M+Na-2H]- 225.01041 143.8
[M]+ 204.03519 141.3
[M]- 204.03629 141.3
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

No patent data available for this compound.