CID 769214

Brn 4691928

Structural Information

Molecular Formula
C13H13N3OS
SMILES
CC(C)(C1=CC(=N)SC2=NC3=CC=CC=C3N12)O
InChI
InChI=1S/C13H13N3OS/c1-13(2,17)10-7-11(14)18-12-15-8-5-3-4-6-9(8)16(10)12/h3-7,14,17H,1-2H3
InChIKey
BYSLFSOXWFOBAZ-UHFFFAOYSA-N
Compound name
2-(2-imino-[1,3]thiazino[3,2-a]benzimidazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.07794 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08522 156.5
[M+Na]+ 282.06716 170.1
[M+NH4]+ 277.11176 165.2
[M+K]+ 298.04110 163.4
[M-H]- 258.07066 158.5
[M+Na-2H]- 280.05261 162.4
[M]+ 259.07739 159.6
[M]- 259.07849 159.6
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

No patent data available for this compound.