CID 3072142

141034-20-0

Structural Information

Molecular Formula
C12H14N2OS
SMILES
C1CSC(=N)N1C2C(CC3=CC=CC=C23)O
InChI
InChI=1S/C12H14N2OS/c13-12-14(5-6-16-12)11-9-4-2-1-3-8(9)7-10(11)15/h1-4,10-11,13,15H,5-7H2
InChIKey
PABJPHGVZOYYFP-UHFFFAOYSA-N
Compound name
1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08269 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.089966 151.1
[M+Na]+ 257.071908 159.3
[M-H]- 233.075414 156.7
[M+NH4]+ 252.116513 172.3
[M+K]+ 273.045848 154.8
[M+H-H2O]+ 217.079950 145.8
[M+HCOO]- 279.080891 167.2
[M+CH3COO]- 293.096541 163.4
[M+Na-2H]- 255.057356 150.6
[M]+ 234.08214142 148.6
[M]- 234.08323858 148.6
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.