CID 2763175

Diethyl (1-trityl-1h-imidazol-4-yl)methylphosphonate

Structural Information

Molecular Formula
C27H29N2O3P
SMILES
CCOP(=O)(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC
InChI
InChI=1S/C27H29N2O3P/c1-3-31-33(30,32-4-2)21-26-20-29(22-28-26)27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-20,22H,3-4,21H2,1-2H3
InChIKey
FNSMDCRPGWSMDB-UHFFFAOYSA-N
Compound name
4-(diethoxyphosphorylmethyl)-1-tritylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

460.1916 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.19888 212.5
[M+Na]+ 483.18082 226.2
[M+NH4]+ 478.22542 218.2
[M+K]+ 499.15476 220.1
[M-H]- 459.18432 218.0
[M+Na-2H]- 481.16627 223.6
[M]+ 460.19105 216.1
[M]- 460.19215 216.1
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

patents stripe