CID 3033214

Ethanedithioamide, n1,n2-bis(3-(dimethylamino)propyl)-

Structural Information

Molecular Formula
C12H26N4S2
SMILES
CN(C)CCCNC(=S)C(=S)NCCCN(C)C
InChI
InChI=1S/C12H26N4S2/c1-15(2)9-5-7-13-11(17)12(18)14-8-6-10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKey
OOGWLZNMIJTRFD-UHFFFAOYSA-N
Compound name
N,N'-bis[3-(dimethylamino)propyl]ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

290.15988 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16716 170.0
[M+Na]+ 313.14910 171.2
[M-H]- 289.15260 171.1
[M+NH4]+ 308.19370 185.7
[M+K]+ 329.12304 168.4
[M+H-H2O]+ 273.15714 161.1
[M+HCOO]- 335.15808 182.4
[M+CH3COO]- 349.17373 217.6
[M+Na-2H]- 311.13455 166.9
[M]+ 290.15933 172.1
[M]- 290.16043 172.1
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