CID 24839156

Brn 5057962

Structural Information

Molecular Formula
C13H10ClN3S
SMILES
CN1C2=C(N=C(C=C2)Cl)N(C1=S)C3=CC=CC=C3
InChI
InChI=1S/C13H10ClN3S/c1-16-10-7-8-11(14)15-12(10)17(13(16)18)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
HEEBAJBZRQZWHV-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-phenylimidazo[4,5-b]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.02838 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03566 158.1
[M+Na]+ 298.01760 173.1
[M-H]- 274.02110 163.5
[M+NH4]+ 293.06220 175.6
[M+K]+ 313.99154 165.4
[M+H-H2O]+ 258.02564 150.8
[M+HCOO]- 320.02658 171.4
[M+CH3COO]- 334.04223 171.5
[M+Na-2H]- 296.00305 161.1
[M]+ 275.02783 164.6
[M]- 275.02893 164.6
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.