CID 3041614

O,s-dimethyl octadecanoylphosphoramidothioate

Structural Information

Molecular Formula
C20H42NO3PS
SMILES
CCCCCCCCCCCCCCCCCC(=O)NP(=O)(OC)SC
InChI
InChI=1S/C20H42NO3PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-25(23,24-2)26-3/h4-19H2,1-3H3,(H,21,22,23)
InChIKey
HKXKOZCKLOHCMQ-UHFFFAOYSA-N
Compound name
N-[methoxy(methylsulfanyl)phosphoryl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.2623 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.26958 207.7
[M+Na]+ 430.25152 207.9
[M-H]- 406.25502 204.2
[M+NH4]+ 425.29612 217.6
[M+K]+ 446.22546 203.9
[M+H-H2O]+ 390.25956 197.3
[M+HCOO]- 452.26050 229.6
[M+CH3COO]- 466.27615 229.2
[M+Na-2H]- 428.23697 201.5
[M]+ 407.26175 218.4
[M]- 407.26285 218.4
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.