CID 205530

Pseudourea, 1,3-diethyl-2-(2-(diethylamino)ethyl)-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C11H25N3S
SMILES
CCNC(=NCC)SCCN(CC)CC
InChI
InChI=1S/C11H25N3S/c1-5-12-11(13-6-2)15-10-9-14(7-3)8-4/h5-10H2,1-4H3,(H,12,13)
InChIKey
KDERVBKERRMOHJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N,N'-diethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.17693 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.18421 158.5
[M+Na]+ 254.16615 161.8
[M-H]- 230.16965 160.7
[M+NH4]+ 249.21075 177.5
[M+K]+ 270.14009 161.0
[M+H-H2O]+ 214.17419 150.8
[M+HCOO]- 276.17513 179.0
[M+CH3COO]- 290.19078 204.7
[M+Na-2H]- 252.15160 158.9
[M]+ 231.17638 162.7
[M]- 231.17748 162.7
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.