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

1
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

patents stripe