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 223.6
[M+Na]+ 478.34377 220.3
[M-H]- 454.34727 221.0
[M+NH4]+ 473.38837 243.8
[M+K]+ 494.31771 215.8
[M+H-H2O]+ 438.35181 213.7
[M+HCOO]- 500.35275 241.7
[M+CH3COO]- 514.36840 245.9
[M+Na-2H]- 476.32922 214.3
[M]+ 455.35400 230.0
[M]- 455.35510 230.0
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.