CID 211306

22833-32-5

Structural Information

Molecular Formula
C18H25N3OS
SMILES
CCCCN(CCCC)CC1C(=O)N2C3=CC=CC=C3N=C2S1
InChI
InChI=1S/C18H25N3OS/c1-3-5-11-20(12-6-4-2)13-16-17(22)21-15-10-8-7-9-14(15)19-18(21)23-16/h7-10,16H,3-6,11-13H2,1-2H3
InChIKey
MLDCGRQQNLKLHY-UHFFFAOYSA-N
Compound name
2-[(dibutylamino)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17184 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17912 179.7
[M+Na]+ 354.16106 190.3
[M+NH4]+ 349.20566 188.0
[M+K]+ 370.13500 184.1
[M-H]- 330.16456 181.8
[M+Na-2H]- 352.14651 182.5
[M]+ 331.17129 182.2
[M]- 331.17239 182.2
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.