CID 175829

99300-62-6

Structural Information

Molecular Formula
C24H41N2O4PS
SMILES
CCCCCCCCCCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C24H41N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-31(32)29-21-22-20-23(26(27)28)17-18-24(22)30-31/h17-18,20H,2-16,19,21H2,1H3,(H,25,32)
InChIKey
VVNDZSIUFLGYKT-UHFFFAOYSA-N
Compound name
N-heptadecyl-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

484.25247 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.25975 220.1
[M+Na]+ 507.24169 219.5
[M-H]- 483.24519 221.5
[M+NH4]+ 502.28629 227.6
[M+K]+ 523.21563 211.9
[M+H-H2O]+ 467.24973 213.2
[M+HCOO]- 529.25067 237.5
[M+CH3COO]- 543.26632 236.7
[M+Na-2H]- 505.22714 220.6
[M]+ 484.25192 225.7
[M]- 484.25302 225.7
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.