CID 3041613

(1-oxotetradecyl)phosphoramidothioic acid o,s-dimethyl ester

Structural Information

Molecular Formula
C16H34NO3PS
SMILES
CCCCCCCCCCCCCC(=O)NP(=O)(OC)SC
InChI
InChI=1S/C16H34NO3PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17-21(19,20-2)22-3/h4-15H2,1-3H3,(H,17,18,19)
InChIKey
BIQHHIJFQYSMND-UHFFFAOYSA-N
Compound name
N-[methoxy(methylsulfanyl)phosphoryl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1997 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20698 190.2
[M+Na]+ 374.18892 192.1
[M-H]- 350.19242 187.5
[M+NH4]+ 369.23352 204.0
[M+K]+ 390.16286 189.0
[M+H-H2O]+ 334.19696 180.5
[M+HCOO]- 396.19790 210.3
[M+CH3COO]- 410.21355 217.4
[M+Na-2H]- 372.17437 185.8
[M]+ 351.19915 199.4
[M]- 351.20025 199.4
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.