CID 3077894

Brn 4874456

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CCC(C)(C1=CC(=O)SC2=NC3=CC=CC=C3N12)O
InChI
InChI=1S/C14H14N2O2S/c1-3-14(2,18)11-8-12(17)19-13-15-9-6-4-5-7-10(9)16(11)13/h4-8,18H,3H2,1-2H3
InChIKey
VQQOIDIERBQNQR-UHFFFAOYSA-N
Compound name
4-(2-hydroxybutan-2-yl)-[1,3]thiazino[3,2-a]benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0776 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08488 161.3
[M+Na]+ 297.06682 175.5
[M+NH4]+ 292.11142 169.8
[M+K]+ 313.04076 168.6
[M-H]- 273.07032 162.6
[M+Na-2H]- 295.05227 166.7
[M]+ 274.07705 164.3
[M]- 274.07815 164.3
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.