CID 76840

3323-10-2

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CC(=O)N
InChI
InChI=1S/C16H15N3O3S/c1-23(21,22)12-7-5-11(6-8-12)16-13(10-14(17)20)19-9-3-2-4-15(19)18-16/h2-9H,10H2,1H3,(H2,17,20)
InChIKey
DTYGEAKGUGEGKX-UHFFFAOYSA-N
Compound name
2-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0834 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 175.6
[M+Na]+ 352.07262 186.3
[M-H]- 328.07612 181.5
[M+NH4]+ 347.11722 189.9
[M+K]+ 368.04656 180.8
[M+H-H2O]+ 312.08066 168.0
[M+HCOO]- 374.08160 192.6
[M+CH3COO]- 388.09725 207.3
[M+Na-2H]- 350.05807 178.8
[M]+ 329.08285 180.3
[M]- 329.08395 180.3
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.