CID 170903077

2212003-31-9

Structural Information

Molecular Formula
C23H21N2O5P
SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)/C=C(\C#N)/P(=O)(O)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H21N2O5P/c1-29-21-11-7-19(8-12-21)25(20-9-13-22(30-2)14-10-20)18-5-3-17(4-6-18)15-23(16-24)31(26,27)28/h3-15H,1-2H3,(H2,26,27,28)/b23-15+
InChIKey
DSRLLJBUTBVMTB-HZHRSRAPSA-N
Compound name
[(E)-1-cyano-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1188 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12608 204.5
[M+Na]+ 459.10802 215.3
[M+NH4]+ 454.15262 205.7
[M+K]+ 475.08196 206.7
[M-H]- 435.11152 200.7
[M+Na-2H]- 457.09347 208.5
[M]+ 436.11825 203.9
[M]- 436.11935 203.9
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.