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

8
Patents

217.06737 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07465 144.7
[M+Na]+ 240.05659 154.9
[M-H]- 216.06009 149.6
[M+NH4]+ 235.10119 165.3
[M+K]+ 256.03053 149.6
[M+H-H2O]+ 200.06463 138.5
[M+HCOO]- 262.06557 162.6
[M+CH3COO]- 276.08122 157.7
[M+Na-2H]- 238.04204 146.8
[M]+ 217.06682 143.4
[M]- 217.06792 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