CID 201129

3323-17-9

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CN(C)C1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C16H17N3O2S/c1-18(2)16-15(17-14-6-4-5-11-19(14)16)12-7-9-13(10-8-12)22(3,20)21/h4-11H,1-3H3
InChIKey
KCYYVPBPRCBOEZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10416 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.111436 172.7
[M+Na]+ 338.093378 183.9
[M-H]- 314.096884 180.6
[M+NH4]+ 333.137983 188.8
[M+K]+ 354.067318 179.6
[M+H-H2O]+ 298.101420 164.8
[M+HCOO]- 360.102361 191.5
[M+CH3COO]- 374.118011 208.9
[M+Na-2H]- 336.078826 176.9
[M]+ 315.10361142 179.6
[M]- 315.10470858 179.6
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.