CID 52283

3-(p-hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride

Structural Information

Molecular Formula
C14H12N2OS2
SMILES
C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)O
InChI
InChI=1S/C14H12N2OS2/c17-11-7-5-10(6-8-11)15-9-16-12-3-1-2-4-13(12)19-14(16)18/h1-8,15,17H,9H2
InChIKey
UDPGPHIQUGXORX-UHFFFAOYSA-N
Compound name
3-[(4-hydroxyanilino)methyl]-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

288.0391 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04638 158.7
[M+Na]+ 311.02832 170.5
[M-H]- 287.03182 164.7
[M+NH4]+ 306.07292 176.4
[M+K]+ 327.00226 162.7
[M+H-H2O]+ 271.03636 152.8
[M+HCOO]- 333.03730 173.4
[M+CH3COO]- 347.05295 171.1
[M+Na-2H]- 309.01377 161.9
[M]+ 288.03855 162.4
[M]- 288.03965 162.4
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

patents stripe