CID 52336

73728-83-3

Structural Information

Molecular Formula
C20H34N4S2
SMILES
CCN(CC)C1=CC=C(C=C1)N(C(=S)N(CC)CC)C(=S)N(CC)CC
InChI
InChI=1S/C20H34N4S2/c1-7-21(8-2)17-13-15-18(16-14-17)24(19(25)22(9-3)10-4)20(26)23(11-5)12-6/h13-16H,7-12H2,1-6H3
InChIKey
ZPIPXXYNETUJHJ-UHFFFAOYSA-N
Compound name
1-[4-(diethylamino)phenyl]-1-(diethylcarbamothioyl)-3,3-diethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.2225 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.229776 199.5
[M+Na]+ 417.211718 200.0
[M-H]- 393.215224 206.0
[M+NH4]+ 412.256323 212.5
[M+K]+ 433.185658 197.8
[M+H-H2O]+ 377.219760 189.1
[M+HCOO]- 439.220701 212.2
[M+CH3COO]- 453.236351 243.1
[M+Na-2H]- 415.197166 194.3
[M]+ 394.22195142 205.3
[M]- 394.22304858 205.3
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.