CID 211347

2-((dipropylamino)methyl)thiazolo(3,2-a)benzimidazol-3(2h)-one

Structural Information

Molecular Formula
C16H21N3OS
SMILES
CCCN(CCC)CC1C(=O)N2C3=CC=CC=C3N=C2S1
InChI
InChI=1S/C16H21N3OS/c1-3-9-18(10-4-2)11-14-15(20)19-13-8-6-5-7-12(13)17-16(19)21-14/h5-8,14H,3-4,9-11H2,1-2H3
InChIKey
PZBSJGWNLUCYPX-UHFFFAOYSA-N
Compound name
2-[(dipropylamino)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14053 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14781 171.8
[M+Na]+ 326.12975 181.7
[M-H]- 302.13325 176.7
[M+NH4]+ 321.17435 191.7
[M+K]+ 342.10369 177.8
[M+H-H2O]+ 286.13779 165.1
[M+HCOO]- 348.13873 189.8
[M+CH3COO]- 362.15438 184.0
[M+Na-2H]- 324.11520 172.1
[M]+ 303.13998 179.6
[M]- 303.14108 179.6
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.