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

910
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

literature stripe

Patent stripe

patents stripe