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]+ 395.22978 199.5
[M+Na]+ 417.21172 200.0
[M-H]- 393.21522 206.0
[M+NH4]+ 412.25632 212.5
[M+K]+ 433.18566 197.8
[M+H-H2O]+ 377.21976 189.1
[M+HCOO]- 439.22070 212.2
[M+CH3COO]- 453.23635 243.1
[M+Na-2H]- 415.19717 194.3
[M]+ 394.22195 205.3
[M]- 394.22305 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.