CID 86574444

(5e)-5-[(4-methoxyphenyl)ammonio]imino-2-thioxo-thiazolidin-4-olate

Structural Information

Molecular Formula
C10H11N3O2S2
SMILES
COC1=CC=C(C=C1)N/N=C/2\C(NC(=S)S2)O
InChI
InChI=1S/C10H11N3O2S2/c1-15-7-4-2-6(3-5-7)12-13-9-8(14)11-10(16)17-9/h2-5,8,12,14H,1H3,(H,11,16)/b13-9+
InChIKey
LQPAYCQPEKJBSN-UKTHLTGXSA-N
Compound name
(5E)-4-hydroxy-5-[(4-methoxyphenyl)hydrazinylidene]-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03655 155.1
[M+Na]+ 292.01849 162.8
[M-H]- 268.02199 159.0
[M+NH4]+ 287.06309 171.5
[M+K]+ 307.99243 156.6
[M+H-H2O]+ 252.02653 148.6
[M+HCOO]- 314.02747 167.8
[M+CH3COO]- 328.04312 194.3
[M+Na-2H]- 290.00394 155.1
[M]+ 269.02872 153.8
[M]- 269.02982 153.8
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

No patent data available for this compound.