CID 3428637

1933-57-9

Structural Information

Molecular Formula
C21H44NO4P
SMILES
CCCCCCCCOP(=O)(C(=O)N(CC)CC)OCCCCCCCC
InChI
InChI=1S/C21H44NO4P/c1-5-9-11-13-15-17-19-25-27(24,21(23)22(7-3)8-4)26-20-18-16-14-12-10-6-2/h5-20H2,1-4H3
InChIKey
WMLWCCYCFTXZFU-UHFFFAOYSA-N
Compound name
1-dioctoxyphosphoryl-N,N-diethylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

405.30078 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.30806 213.6
[M+Na]+ 428.29000 222.4
[M-H]- 404.29350 207.4
[M+NH4]+ 423.33460 219.0
[M+K]+ 444.26394 217.1
[M+H-H2O]+ 388.29804 202.9
[M+HCOO]- 450.29898 226.0
[M+CH3COO]- 464.31463 233.9
[M+Na-2H]- 426.27545 208.0
[M]+ 405.30023 212.8
[M]- 405.30133 212.8
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

patents stripe