CID 16684651

153714-95-5

Structural Information

Molecular Formula
C32H38GeN6S2
SMILES
C1CN(C(=N1)CC2=CC=CC3=CC=CC=C32)[Ge](N4CCN=C4CC5=CC=CC6=CC=CC=C65)(SCCN)SCCN
InChI
InChI=1S/C32H38GeN6S2/c34-15-21-40-33(41-22-16-35,38-19-17-36-31(38)23-27-11-5-9-25-7-1-3-13-29(25)27)39-20-18-37-32(39)24-28-12-6-10-26-8-2-4-14-30(26)28/h1-14H,15-24,34-35H2
InChIKey
SGFBYLULLSZEEV-UHFFFAOYSA-N
Compound name
2-[2-aminoethylsulfanyl-bis[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]germyl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

644.1811 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.18838 237.4
[M+Na]+ 667.17032 243.3
[M-H]- 643.17382 244.5
[M+NH4]+ 662.21492 240.8
[M+K]+ 683.14426 232.8
[M+H-H2O]+ 627.17836 228.0
[M+HCOO]- 689.17930 242.8
[M+CH3COO]- 703.19495 241.5
[M+Na-2H]- 665.15577 235.9
[M]+ 644.18055 239.7
[M]- 644.18165 239.7
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.