CID 3458010

6,7-dihydro-3-imino-1-phenyl-3h,5h-imidazo(1,2-c)thiazole hydrochloride

Structural Information

Molecular Formula
C11H11N3S
SMILES
C1CN2C(=C(SC2=N)C3=CC=CC=C3)N1
InChI
InChI=1S/C11H11N3S/c12-11-14-7-6-13-10(14)9(15-11)8-4-2-1-3-5-8/h1-5,12-13H,6-7H2
InChIKey
VXXOEWDKQAEBDF-UHFFFAOYSA-N
Compound name
7-phenyl-2,3-dihydro-1H-imidazo[1,2-c][1,3]thiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

217.06737 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.074646 144.7
[M+Na]+ 240.056588 154.9
[M-H]- 216.060094 149.6
[M+NH4]+ 235.101193 165.3
[M+K]+ 256.030528 149.6
[M+H-H2O]+ 200.064630 138.5
[M+HCOO]- 262.065571 162.6
[M+CH3COO]- 276.081221 157.7
[M+Na-2H]- 238.042036 146.8
[M]+ 217.06682142 143.4
[M]- 217.06791858 143.4
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

patents stripe