CID 382230

Nsc669685

Structural Information

Molecular Formula
C25H28NO3P
SMILES
CCOP(=O)(C(CC1=CC=CC=C1)N=C(C2=CC=CC=C2)C3=CC=CC=C3)OCC
InChI
InChI=1S/C25H28NO3P/c1-3-28-30(27,29-4-2)24(20-21-14-8-5-9-15-21)26-25(22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,3-4,20H2,1-2H3
InChIKey
WLRUOTVHVFBTLE-UHFFFAOYSA-N
Compound name
N-(1-diethoxyphosphoryl-2-phenylethyl)-1,1-diphenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

421.1807 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18798 206.3
[M+Na]+ 444.16992 207.9
[M-H]- 420.17342 214.2
[M+NH4]+ 439.21452 215.5
[M+K]+ 460.14386 204.1
[M+H-H2O]+ 404.17796 192.7
[M+HCOO]- 466.17890 232.6
[M+CH3COO]- 480.19455 230.8
[M+Na-2H]- 442.15537 205.8
[M]+ 421.18015 208.9
[M]- 421.18125 208.9
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

No patent data available for this compound.