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 206.8
[M+Na]+ 459.10802 213.1
[M-H]- 435.11152 211.5
[M+NH4]+ 454.15262 213.4
[M+K]+ 475.08196 208.1
[M+H-H2O]+ 419.11606 188.6
[M+HCOO]- 481.11700 227.0
[M+CH3COO]- 495.13265 236.7
[M+Na-2H]- 457.09347 204.6
[M]+ 436.11825 203.2
[M]- 436.11935 203.2
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.