CID 392915

Nsc694098

Structural Information

Molecular Formula
C16H20NO3P
SMILES
CCOP(=O)(C1=C(C=CC(=C1)C2=CC=CC=C2)N)OCC
InChI
InChI=1S/C16H20NO3P/c1-3-19-21(18,20-4-2)16-12-14(10-11-15(16)17)13-8-6-5-7-9-13/h5-12H,3-4,17H2,1-2H3
InChIKey
BTDWQSGIXUBSEQ-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-4-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11807 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12535 173.2
[M+Na]+ 328.10729 179.6
[M-H]- 304.11079 178.2
[M+NH4]+ 323.15189 188.0
[M+K]+ 344.08123 176.5
[M+H-H2O]+ 288.11533 162.9
[M+HCOO]- 350.11627 201.5
[M+CH3COO]- 364.13192 207.4
[M+Na-2H]- 326.09274 174.8
[M]+ 305.11752 176.1
[M]- 305.11862 176.1
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.