CID 4409608

1-dodecanoyl-2-thiourea

Structural Information

Molecular Formula
C13H26N2OS
SMILES
CCCCCCCCCCCC(=O)NC(=S)N
InChI
InChI=1S/C13H26N2OS/c1-2-3-4-5-6-7-8-9-10-11-12(16)15-13(14)17/h2-11H2,1H3,(H3,14,15,16,17)
InChIKey
HQWHWMJZCIBUFW-UHFFFAOYSA-N
Compound name
N-carbamothioyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

258.17657 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18385 165.8
[M+Na]+ 281.16579 168.3
[M-H]- 257.16929 164.2
[M+NH4]+ 276.21039 182.1
[M+K]+ 297.13973 164.7
[M+H-H2O]+ 241.17383 158.7
[M+HCOO]- 303.17477 181.5
[M+CH3COO]- 317.19042 201.6
[M+Na-2H]- 279.15124 163.1
[M]+ 258.17602 167.5
[M]- 258.17712 167.5
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

patents stripe