CID 382131

Nsc669577

Structural Information

Molecular Formula
C27H32NO5P
SMILES
CCOP(=O)(C(CC1=CC(=C(C=C1)OC)OC)N=C(C2=CC=CC=C2)C3=CC=CC=C3)OCC
InChI
InChI=1S/C27H32NO5P/c1-5-32-34(29,33-6-2)26(20-21-17-18-24(30-3)25(19-21)31-4)28-27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-19,26H,5-6,20H2,1-4H3
InChIKey
BNLONRUWFBDFIE-UHFFFAOYSA-N
Compound name
N-[1-diethoxyphosphoryl-2-(3,4-dimethoxyphenyl)ethyl]-1,1-diphenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

481.2018 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.20908 220.3
[M+Na]+ 504.19102 222.2
[M-H]- 480.19452 228.6
[M+NH4]+ 499.23562 227.4
[M+K]+ 520.16496 220.0
[M+H-H2O]+ 464.19906 206.2
[M+HCOO]- 526.20000 246.2
[M+CH3COO]- 540.21565 243.1
[M+Na-2H]- 502.17647 218.1
[M]+ 481.20125 227.2
[M]- 481.20235 227.2
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.