CID 462258

4-(dimethylamino)-2,6-bis[[[3-(tert-butylthio)propyl]amino]methy]pyridine

Structural Information

Molecular Formula
C23H44N4S2
SMILES
CC(C)(C)SCCCNCC1=CC(=CC(=N1)CNCCCSC(C)(C)C)N(C)C
InChI
InChI=1S/C23H44N4S2/c1-22(2,3)28-13-9-11-24-17-19-15-21(27(7)8)16-20(26-19)18-25-12-10-14-29-23(4,5)6/h15-16,24-25H,9-14,17-18H2,1-8H3
InChIKey
BZXOSRUYJKFOAB-UHFFFAOYSA-N
Compound name
2,6-bis[(3-tert-butylsulfanylpropylamino)methyl]-N,N-dimethylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.30075 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.30803 209.5
[M+Na]+ 463.28997 210.7
[M-H]- 439.29347 210.4
[M+NH4]+ 458.33457 218.6
[M+K]+ 479.26391 204.6
[M+H-H2O]+ 423.29801 199.9
[M+HCOO]- 485.29895 217.2
[M+CH3COO]- 499.31460 242.9
[M+Na-2H]- 461.27542 207.8
[M]+ 440.30020 215.7
[M]- 440.30130 215.7
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

No patent data available for this compound.