CID 24839897

120627-02-3

Structural Information

Molecular Formula
C23H42GeN4O2S2
SMILES
CC(C)C[C@@H](C(=O)N)NCCS[Ge](C)(C1=CC=CC=C1)SCCN[C@@H](CC(C)C)C(=O)N
InChI
InChI=1S/C23H42GeN4O2S2/c1-17(2)15-20(22(25)29)27-11-13-31-24(5,19-9-7-6-8-10-19)32-14-12-28-21(23(26)30)16-18(3)4/h6-10,17-18,20-21,27-28H,11-16H2,1-5H3,(H2,25,29)(H2,26,30)/t20-,21-/m0/s1
InChIKey
QANVDGKHEKYHAP-SFTDATJTSA-N
Compound name
(2S)-2-[2-[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]ethylsulfanyl-methyl-phenylgermyl]sulfanylethylamino]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.1961 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.20338 226.6
[M+Na]+ 567.18532 221.6
[M-H]- 543.18882 224.3
[M+NH4]+ 562.22992 231.1
[M+K]+ 583.15926 216.5
[M+H-H2O]+ 527.19336 216.3
[M+HCOO]- 589.19430 229.7
[M+CH3COO]- 603.20995 251.8
[M+Na-2H]- 565.17077 218.7
[M]+ 544.19555 226.5
[M]- 544.19665 226.5
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.