CID 390611

Nsc688139

Structural Information

Molecular Formula
C21H40N4S2
SMILES
CC(C)(C)SCCNCC1=CC(=CC(=N1)CNCCSC(C)(C)C)N(C)C
InChI
InChI=1S/C21H40N4S2/c1-20(2,3)26-11-9-22-15-17-13-19(25(7)8)14-18(24-17)16-23-10-12-27-21(4,5)6/h13-14,22-23H,9-12,15-16H2,1-8H3
InChIKey
JFDVVMPSFINTLY-UHFFFAOYSA-N
Compound name
2,6-bis[(2-tert-butylsulfanylethylamino)methyl]-N,N-dimethylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.26944 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.27672 201.6
[M+Na]+ 435.25866 203.7
[M-H]- 411.26216 203.0
[M+NH4]+ 430.30326 211.9
[M+K]+ 451.23260 198.0
[M+H-H2O]+ 395.26670 192.4
[M+HCOO]- 457.26764 209.9
[M+CH3COO]- 471.28329 237.2
[M+Na-2H]- 433.24411 200.7
[M]+ 412.26889 207.1
[M]- 412.26999 207.1
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

No patent data available for this compound.