CID 211305

22833-31-4

Structural Information

Molecular Formula
C18H25N3OS
SMILES
CCC(C)N(CC1C(=O)N2C3=CC=CC=C3N=C2S1)C(C)CC
InChI
InChI=1S/C18H25N3OS/c1-5-12(3)20(13(4)6-2)11-16-17(22)21-15-10-8-7-9-14(15)19-18(21)23-16/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKey
SLYDRIZHGRYNEE-UHFFFAOYSA-N
Compound name
2-[[di(butan-2-yl)amino]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

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17912 181.9
[M+Na]+ 354.16106 190.0
[M-H]- 330.16456 186.6
[M+NH4]+ 349.20566 200.4
[M+K]+ 370.13500 186.8
[M+H-H2O]+ 314.16910 175.2
[M+HCOO]- 376.17004 196.9
[M+CH3COO]- 390.18569 216.8
[M+Na-2H]- 352.14651 179.1
[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.