CID 462260

N,n-dimethyl-2,6-bis[(3-methylsulfanylpropylamino)methyl]pyridin-4-amine

Structural Information

Molecular Formula
C17H32N4S2
SMILES
CN(C)C1=CC(=NC(=C1)CNCCCSC)CNCCCSC
InChI
InChI=1S/C17H32N4S2/c1-21(2)17-11-15(13-18-7-5-9-22-3)20-16(12-17)14-19-8-6-10-23-4/h11-12,18-19H,5-10,13-14H2,1-4H3
InChIKey
BABWEFBCUJNKIL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,6-bis[(3-methylsulfanylpropylamino)methyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.20685 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21413 181.3
[M+Na]+ 379.19607 184.5
[M-H]- 355.19957 183.0
[M+NH4]+ 374.24067 193.6
[M+K]+ 395.17001 178.6
[M+H-H2O]+ 339.20411 171.8
[M+HCOO]- 401.20505 193.8
[M+CH3COO]- 415.22070 226.0
[M+Na-2H]- 377.18152 180.3
[M]+ 356.20630 186.7
[M]- 356.20740 186.7
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.