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]+ 235.08997 151.1
[M+Na]+ 257.07191 159.3
[M-H]- 233.07541 156.7
[M+NH4]+ 252.11651 172.3
[M+K]+ 273.04585 154.8
[M+H-H2O]+ 217.07995 145.8
[M+HCOO]- 279.08089 167.2
[M+CH3COO]- 293.09654 163.4
[M+Na-2H]- 255.05736 150.6
[M]+ 234.08214 148.6
[M]- 234.08324 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.