CID 392914

Nsc694097

Structural Information

Molecular Formula
C16H21N2O3P
SMILES
CCOP(=O)(NC1=CC=C(C=C1)C2=CC=C(C=C2)N)OCC
InChI
InChI=1S/C16H21N2O3P/c1-3-20-22(19,21-4-2)18-16-11-7-14(8-12-16)13-5-9-15(17)10-6-13/h5-12H,3-4,17H2,1-2H3,(H,18,19)
InChIKey
VJQOMAZWQYXSAU-UHFFFAOYSA-N
Compound name
4-[4-(diethoxyphosphorylamino)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12897 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13625 176.1
[M+Na]+ 343.11819 181.4
[M-H]- 319.12169 180.9
[M+NH4]+ 338.16279 189.8
[M+K]+ 359.09213 178.4
[M+H-H2O]+ 303.12623 165.3
[M+HCOO]- 365.12717 205.2
[M+CH3COO]- 379.14282 212.6
[M+Na-2H]- 341.10364 178.2
[M]+ 320.12842 178.2
[M]- 320.12952 178.2
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.