CID 3076150

130365-34-3

Structural Information

Molecular Formula
C23H39N2O4PS
SMILES
CCCCCCCCCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C23H39N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-30(31)28-20-21-19-22(25(26)27)16-17-23(21)29-30/h16-17,19H,2-15,18,20H2,1H3,(H,24,31)
InChIKey
LBDUPNUHUSLPMT-UHFFFAOYSA-N
Compound name
N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.23682 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.24410 215.6
[M+Na]+ 493.22604 215.4
[M-H]- 469.22954 217.3
[M+NH4]+ 488.27064 223.7
[M+K]+ 509.19998 208.1
[M+H-H2O]+ 453.23408 208.9
[M+HCOO]- 515.23502 233.3
[M+CH3COO]- 529.25067 233.7
[M+Na-2H]- 491.21149 216.5
[M]+ 470.23627 220.9
[M]- 470.23737 220.9
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.