CID 602692

N-[diethoxyphosphoryl(phenyl)methyl]aniline

Structural Information

Molecular Formula
C17H22NO3P
SMILES
CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=CC=C2)OCC
InChI
InChI=1S/C17H22NO3P/c1-3-20-22(19,21-4-2)17(15-11-7-5-8-12-15)18-16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKey
IKTPAIHRGPPIDW-UHFFFAOYSA-N
Compound name
N-[diethoxyphosphoryl(phenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.13373 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14101 177.6
[M+Na]+ 342.12295 181.4
[M-H]- 318.12645 182.2
[M+NH4]+ 337.16755 191.4
[M+K]+ 358.09689 178.8
[M+H-H2O]+ 302.13099 166.7
[M+HCOO]- 364.13193 205.1
[M+CH3COO]- 378.14758 209.4
[M+Na-2H]- 340.10840 179.9
[M]+ 319.13318 180.4
[M]- 319.13428 180.4
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