CID 115059

Wr-33278

Structural Information

Molecular Formula
C10H26N4S2
SMILES
C(CN)CNCCSSCCNCCCN
InChI
InChI=1S/C10H26N4S2/c11-3-1-5-13-7-9-15-16-10-8-14-6-2-4-12/h13-14H,1-12H2
InChIKey
OOSNVQHPVFTIIV-UHFFFAOYSA-N
Compound name
N'-[2-[2-(3-aminopropylamino)ethyldisulfanyl]ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

62
Patents

266.15988 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16716 153.1
[M+Na]+ 289.14910 154.8
[M-H]- 265.15260 150.2
[M+NH4]+ 284.19370 168.0
[M+K]+ 305.12304 149.1
[M+H-H2O]+ 249.15714 144.8
[M+HCOO]- 311.15808 166.2
[M+CH3COO]- 325.17373 206.1
[M+Na-2H]- 287.13455 153.0
[M]+ 266.15933 152.8
[M]- 266.16043 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe