CID 202108

7h-imidazo(2,1-b)thiazol-4-ium, 5,6-dihydro-3-(p-nitrophenyl)-, bromide

Structural Information

Molecular Formula
C11H9N3O2S
SMILES
C1CN2C(=CSC2=N1)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O2S/c15-14(16)9-3-1-8(2-4-9)10-7-17-11-12-5-6-13(10)11/h1-4,7H,5-6H2
InChIKey
VKVUEAYHLDCFSV-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

247.04155 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04883 152.0
[M+Na]+ 270.03077 160.7
[M-H]- 246.03427 158.2
[M+NH4]+ 265.07537 171.0
[M+K]+ 286.00471 153.4
[M+H-H2O]+ 230.03881 149.7
[M+HCOO]- 292.03975 171.0
[M+CH3COO]- 306.05540 184.1
[M+Na-2H]- 268.01622 155.9
[M]+ 247.04100 151.6
[M]- 247.04210 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.