CID 3055082

72017-53-9

Structural Information

Molecular Formula
C17H19N3O2S
SMILES
CN(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C17H19N3O2S/c1-19(2)12-15-17(18-16-6-4-5-11-20(15)16)13-7-9-14(10-8-13)23(3,21)22/h4-11H,12H2,1-3H3
InChIKey
YXKKGAOLYRQCKH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12708 177.2
[M+Na]+ 352.10902 187.9
[M-H]- 328.11252 184.9
[M+NH4]+ 347.15362 192.7
[M+K]+ 368.08296 183.4
[M+H-H2O]+ 312.11706 169.1
[M+HCOO]- 374.11800 195.6
[M+CH3COO]- 388.13365 211.8
[M+Na-2H]- 350.09447 180.9
[M]+ 329.11925 184.4
[M]- 329.12035 184.4
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

No patent data available for this compound.