CID 158335

Octyl(phenyl)-n,n-diisobutylcarbamoylmethylphosphine oxide

Structural Information

Molecular Formula
C24H42NO2P
SMILES
CCCCCCCCP(=O)(CC(=O)N(CC(C)C)CC(C)C)C1=CC=CC=C1
InChI
InChI=1S/C24H42NO2P/c1-6-7-8-9-10-14-17-28(27,23-15-12-11-13-16-23)20-24(26)25(18-21(2)3)19-22(4)5/h11-13,15-16,21-22H,6-10,14,17-20H2,1-5H3
InChIKey
SGZRFMMIONYDQU-UHFFFAOYSA-N
Compound name
N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

985
Patents

407.29532 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.30260 213.6
[M+Na]+ 430.28454 213.6
[M-H]- 406.28804 215.0
[M+NH4]+ 425.32914 225.0
[M+K]+ 446.25848 211.1
[M+H-H2O]+ 390.29258 202.8
[M+HCOO]- 452.29352 235.9
[M+CH3COO]- 466.30917 235.9
[M+Na-2H]- 428.26999 206.6
[M]+ 407.29477 219.9
[M]- 407.29587 219.9
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.