CID 16684662

153715-01-6

Structural Information

Molecular Formula
C29H52GeN8S3
SMILES
C1CN(C(=N1)CC2=CC=CC3=CC=CC=C32)[Ge](SCCNCCCN)(SCCNCCCN)SCCNCCCN
InChI
InChI=1S/C29H52GeN8S3/c31-11-4-14-34-18-22-39-30(40-23-19-35-15-5-12-32,41-24-20-36-16-6-13-33)38-21-17-37-29(38)25-27-9-3-8-26-7-1-2-10-28(26)27/h1-3,7-10,34-36H,4-6,11-25,31-33H2
InChIKey
NDGXEVZIGRENTD-UHFFFAOYSA-N
Compound name
N'-[2-[bis[2-(3-aminopropylamino)ethylsulfanyl]-[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

682.26886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.27614 222.8
[M+Na]+ 705.25808 220.1
[M-H]- 681.26158 220.2
[M+NH4]+ 700.30268 223.1
[M+K]+ 721.23202 208.6
[M+H-H2O]+ 665.26612 212.8
[M+HCOO]- 727.26706 225.3
[M+CH3COO]- 741.28271 273.9
[M+Na-2H]- 703.24353 226.2
[M]+ 682.26831 222.7
[M]- 682.26941 222.7
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.