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]+ 288.116496 165.2
[M+Na]+ 310.098438 175.0
[M-H]- 286.101944 170.2
[M+NH4]+ 305.143043 183.5
[M+K]+ 326.072378 170.0
[M+H-H2O]+ 270.106480 157.8
[M+HCOO]- 332.107421 178.2
[M+CH3COO]- 346.123071 176.5
[M+Na-2H]- 308.083886 164.7
[M]+ 287.10867142 166.1
[M]- 287.10976858 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.