CID 465136

2-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazole

Structural Information

Molecular Formula
C14H10N4S
SMILES
CN1C2=C(N=CC=C2)N=C1C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C14H10N4S/c1-18-10-6-4-8-15-12(10)17-13(18)14-16-9-5-2-3-7-11(9)19-14/h2-8H,1H3
InChIKey
AMQMAUUKVVNMGB-UHFFFAOYSA-N
Compound name
2-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.06262 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06990 157.4
[M+Na]+ 289.05184 173.0
[M-H]- 265.05534 163.5
[M+NH4]+ 284.09644 175.9
[M+K]+ 305.02578 166.8
[M+H-H2O]+ 249.05988 150.0
[M+HCOO]- 311.06082 176.2
[M+CH3COO]- 325.07647 171.4
[M+Na-2H]- 287.03729 161.8
[M]+ 266.06207 164.7
[M]- 266.06317 164.7
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.