CID 211304

2-(piperidinomethyl)thiazolo(3,2-a)benzimidazol-3(2h)-one

Structural Information

Molecular Formula
C15H17N3OS
SMILES
C1CCN(CC1)CC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C15H17N3OS/c19-14-13(10-17-8-4-1-5-9-17)20-15-16-11-6-2-3-7-12(11)18(14)15/h2-3,6-7,13H,1,4-5,8-10H2
InChIKey
VUZMOPRLIIHSQK-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.10922 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11650 165.2
[M+Na]+ 310.09844 175.0
[M-H]- 286.10194 170.2
[M+NH4]+ 305.14304 183.5
[M+K]+ 326.07238 170.0
[M+H-H2O]+ 270.10648 157.8
[M+HCOO]- 332.10742 178.2
[M+CH3COO]- 346.12307 176.5
[M+Na-2H]- 308.08389 164.7
[M]+ 287.10867 166.1
[M]- 287.10977 166.1
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.