CID 390608

Nsc688137

Structural Information

Molecular Formula
C19H38N6
SMILES
CN(C)CCCNCC1=CC(=CC(=N1)CNCCCN(C)C)N(C)C
InChI
InChI=1S/C19H38N6/c1-23(2)11-7-9-20-15-17-13-19(25(5)6)14-18(22-17)16-21-10-8-12-24(3)4/h13-14,20-21H,7-12,15-16H2,1-6H3
InChIKey
CCNSDGDHXMDNIN-UHFFFAOYSA-N
Compound name
N-[[4-(dimethylamino)-6-[[3-(dimethylamino)propylamino]methyl]pyridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.3158 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.32308 193.7
[M+Na]+ 373.30502 194.8
[M-H]- 349.30852 198.8
[M+NH4]+ 368.34962 206.2
[M+K]+ 389.27896 194.8
[M+H-H2O]+ 333.31306 182.8
[M+HCOO]- 395.31400 220.1
[M+CH3COO]- 409.32965 241.5
[M+Na-2H]- 371.29047 194.7
[M]+ 350.31525 198.5
[M]- 350.31635 198.5
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.