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 180.7
[M+Na]+ 354.16106 189.6
[M-H]- 330.16456 185.2
[M+NH4]+ 349.20566 199.4
[M+K]+ 370.13500 185.3
[M+H-H2O]+ 314.16910 173.6
[M+HCOO]- 376.17004 198.0
[M+CH3COO]- 390.18569 215.1
[M+Na-2H]- 352.14651 180.0
[M]+ 331.17129 189.2
[M]- 331.17239 189.2
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.