CID 3004660

Nsc659389

Structural Information

Molecular Formula
C23H44N4O2S
SMILES
CCCCCCCCCCCCCCCCCCNC(=S)NC=C(C(=O)N)C(=O)N
InChI
InChI=1S/C23H44N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23(30)27-19-20(21(24)28)22(25)29/h19H,2-18H2,1H3,(H2,24,28)(H2,25,29)(H2,26,27,30)
InChIKey
CLQXXZVEMQJOGV-UHFFFAOYSA-N
Compound name
2-[(octadecylcarbamothioylamino)methylidene]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.3185 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.32578 214.7
[M+Na]+ 463.30772 211.0
[M-H]- 439.31122 210.4
[M+NH4]+ 458.35232 229.2
[M+K]+ 479.28166 205.5
[M+H-H2O]+ 423.31576 204.8
[M+HCOO]- 485.31670 228.0
[M+CH3COO]- 499.33235 242.4
[M+Na-2H]- 461.29317 205.7
[M]+ 440.31795 215.9
[M]- 440.31905 215.9
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.