CID 2763175

Diethyl {[1-(triphenylmethyl)-1h-imidazol-4-yl]methyl}phosphonate

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 215.5
[M+Na]+ 483.18082 218.6
[M-H]- 459.18432 223.3
[M+NH4]+ 478.22542 221.6
[M+K]+ 499.15476 213.4
[M+H-H2O]+ 443.18886 200.7
[M+HCOO]- 505.18980 237.6
[M+CH3COO]- 519.20545 231.7
[M+Na-2H]- 481.16627 215.4
[M]+ 460.19105 217.8
[M]- 460.19215 217.8
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