CID 358879

2,6-bis(ph-4ch2nhetnme2)pyridine

Structural Information

Molecular Formula
C27H37N5
SMILES
CN(C)CCNCC1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=C(C=C3)CNCCN(C)C
InChI
InChI=1S/C27H37N5/c1-31(2)18-16-28-20-22-8-12-24(13-9-22)26-6-5-7-27(30-26)25-14-10-23(11-15-25)21-29-17-19-32(3)4/h5-15,28-29H,16-21H2,1-4H3
InChIKey
RJAWNQMCHZONCL-UHFFFAOYSA-N
Compound name
N-[[4-[6-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]pyridin-2-yl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.3049 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.31218 211.0
[M+Na]+ 454.29412 212.6
[M-H]- 430.29762 220.5
[M+NH4]+ 449.33872 218.8
[M+K]+ 470.26806 207.8
[M+H-H2O]+ 414.30216 198.0
[M+HCOO]- 476.30310 235.7
[M+CH3COO]- 490.31875 248.9
[M+Na-2H]- 452.27957 213.2
[M]+ 431.30435 213.2
[M]- 431.30545 213.2
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.