CID 3076283

Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-nitro-4-(pentyloxy)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H19N3O3S
SMILES
CCCCCOC1=C(C=C(C=C1)C2=CSC3=NCCN23)[N+](=O)[O-]
InChI
InChI=1S/C16H19N3O3S/c1-2-3-4-9-22-15-6-5-12(10-13(15)19(20)21)14-11-23-16-17-7-8-18(14)16/h5-6,10-11H,2-4,7-9H2,1H3
InChIKey
YXURRKXBYNKVDD-UHFFFAOYSA-N
Compound name
3-(3-nitro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11472 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12200 178.3
[M+Na]+ 356.10394 185.1
[M-H]- 332.10744 183.9
[M+NH4]+ 351.14854 193.8
[M+K]+ 372.07788 177.1
[M+H-H2O]+ 316.11198 175.2
[M+HCOO]- 378.11292 195.7
[M+CH3COO]- 392.12857 202.0
[M+Na-2H]- 354.08939 179.5
[M]+ 333.11417 181.1
[M]- 333.11527 181.1
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.