CID 3034869

1,1-dilauroylthiosemicarbazide

Structural Information

Molecular Formula
C25H49N3O2S
SMILES
CCCCCCCCCCCC(=O)N(C(=O)CCCCCCCCCCC)NC(=S)N
InChI
InChI=1S/C25H49N3O2S/c1-3-5-7-9-11-13-15-17-19-21-23(29)28(27-25(26)31)24(30)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3,(H3,26,27,31)
InChIKey
KDXYIPLXIOZQKS-UHFFFAOYSA-N
Compound name
[di(dodecanoyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.35455 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.36183 221.4
[M+Na]+ 478.34377 222.4
[M+NH4]+ 473.38837 245.0
[M+K]+ 494.31771 246.0
[M-H]- 454.34727 219.5
[M+Na-2H]- 476.32922 217.9
[M]+ 455.35400 220.7
[M]- 455.35510 220.7
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.