CID 437128

Pseudourea, 2,2'-hexamethylenebis[1,3-diethyl-2-thio-

Structural Information

Molecular Formula
C16H34N4S2
SMILES
CCNC(=NCC)SCCCCCCSC(=NCC)NCC
InChI
InChI=1S/C16H34N4S2/c1-5-17-15(18-6-2)21-13-11-9-10-12-14-22-16(19-7-3)20-8-4/h5-14H2,1-4H3,(H,17,18)(H,19,20)
InChIKey
ZZKQDKGWDDQSTI-UHFFFAOYSA-N
Compound name
6-(N,N'-diethylcarbamimidoyl)sulfanylhexyl N,N'-diethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22978 184.3
[M+Na]+ 369.21172 184.7
[M-H]- 345.21522 184.6
[M+NH4]+ 364.25632 198.2
[M+K]+ 385.18566 180.0
[M+H-H2O]+ 329.21976 174.7
[M+HCOO]- 391.22070 197.8
[M+CH3COO]- 405.23635 225.6
[M+Na-2H]- 367.19717 181.6
[M]+ 346.22195 188.8
[M]- 346.22305 188.8
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.