CID 16750138

E6clv6g2rr

Structural Information

Molecular Formula
C16H17N3S
SMILES
CN(C)C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)S[11CH3]
InChI
InChI=1S/C16H17N3S/c1-18(2)13-6-4-12(5-7-13)15-11-19-10-14(20-3)8-9-16(19)17-15/h4-11H,1-3H3/i3-1
InChIKey
WOYCDVDURLTMAW-KTXUZGJCSA-N
Compound name
N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

282.12576 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13304 164.0
[M+Na]+ 305.11498 175.1
[M-H]- 281.11848 171.6
[M+NH4]+ 300.15958 181.8
[M+K]+ 321.08892 170.1
[M+H-H2O]+ 265.12302 155.8
[M+HCOO]- 327.12396 183.8
[M+CH3COO]- 341.13961 177.1
[M+Na-2H]- 303.10043 167.2
[M]+ 282.12521 170.1
[M]- 282.12631 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe