CID 16684653

153714-96-6

Structural Information

Molecular Formula
C38H52GeN8S2
SMILES
C1CN(C(=N1)CC2=CC=CC3=CC=CC=C32)[Ge](N4CCN=C4CC5=CC=CC6=CC=CC=C65)(SCCNCCCN)SCCNCCCN
InChI
InChI=1S/C38H52GeN8S2/c40-17-7-19-42-23-27-48-39(49-28-24-43-20-8-18-41,46-25-21-44-37(46)29-33-13-5-11-31-9-1-3-15-35(31)33)47-26-22-45-38(47)30-34-14-6-12-32-10-2-4-16-36(32)34/h1-6,9-16,42-43H,7-8,17-30,40-41H2
InChIKey
FOXRUCFMHIHRPF-UHFFFAOYSA-N
Compound name
N'-[2-[2-(3-aminopropylamino)ethylsulfanyl-bis[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]germyl]sulfanylethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.2968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.30408 249.1
[M+Na]+ 781.28602 250.1
[M-H]- 757.28952 254.7
[M+NH4]+ 776.33062 247.4
[M+K]+ 797.25996 239.4
[M+H-H2O]+ 741.29406 238.9
[M+HCOO]- 803.29500 254.7
[M+CH3COO]- 817.31065 250.3
[M+Na-2H]- 779.27147 250.2
[M]+ 758.29625 252.1
[M]- 758.29735 252.1
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.