CID 16684660

153715-00-5

Structural Information

Molecular Formula
C20H31GeN5S3
SMILES
C1CN(C(=N1)CC2=CC=CC3=CC=CC=C32)[Ge](SCCN)(SCCN)SCCN
InChI
InChI=1S/C20H31GeN5S3/c22-8-13-27-21(28-14-9-23,29-15-10-24)26-12-11-25-20(26)16-18-6-3-5-17-4-1-2-7-19(17)18/h1-7H,8-16,22-24H2
InChIKey
PTABAKQOIKVWRL-UHFFFAOYSA-N
Compound name
2-[bis(2-aminoethylsulfanyl)-[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

511.09534 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.10262 202.0
[M+Na]+ 534.08456 206.2
[M-H]- 510.08806 201.9
[M+NH4]+ 529.12916 210.1
[M+K]+ 550.05850 195.7
[M+H-H2O]+ 494.09260 194.1
[M+HCOO]- 556.09354 204.2
[M+CH3COO]- 570.10919 235.1
[M+Na-2H]- 532.07001 202.0
[M]+ 511.09479 201.2
[M]- 511.09589 201.2
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.