CID 10424549

Alethine bis(trifluoroacetate)

Structural Information

Molecular Formula
C10H22N4O2S2
SMILES
CNCC(=O)NCCSSCCNC(=O)CNC
InChI
InChI=1S/C10H22N4O2S2/c1-11-7-9(15)13-3-5-17-18-6-4-14-10(16)8-12-2/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
CPUCKTMPDMVQHL-UHFFFAOYSA-N
Compound name
2-(methylamino)-N-[2-[2-[[2-(methylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

294.1184 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12568 163.5
[M+Na]+ 317.10762 164.6
[M-H]- 293.11112 161.6
[M+NH4]+ 312.15222 177.3
[M+K]+ 333.08156 160.4
[M+H-H2O]+ 277.11566 154.8
[M+HCOO]- 339.11660 176.3
[M+CH3COO]- 353.13225 209.9
[M+Na-2H]- 315.09307 163.3
[M]+ 294.11785 165.0
[M]- 294.11895 165.0
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

patents stripe