CID 9959140

Skf-98625

Structural Information

Molecular Formula
C32H39N2O4P
SMILES
CCOP(=O)(CCCCCCCN1C(=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)OCC
InChI
InChI=1S/C32H39N2O4P/c1-3-37-39(36,38-4-2)26-18-7-5-6-17-25-33-30(27-19-11-8-12-20-27)31(28-21-13-9-14-22-28)34(32(33)35)29-23-15-10-16-24-29/h8-16,19-24H,3-7,17-18,25-26H2,1-2H3
InChIKey
ROEBFCUWXFBXJZ-UHFFFAOYSA-N
Compound name
1-(7-diethoxyphosphorylheptyl)-3,4,5-triphenylimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

21
Patents

546.2648 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.27208 237.9
[M+Na]+ 569.25402 251.5
[M+NH4]+ 564.29862 242.1
[M+K]+ 585.22796 243.9
[M-H]- 545.25752 243.3
[M+Na-2H]- 567.23947 246.3
[M]+ 546.26425 241.3
[M]- 546.26535 241.3
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

patents stripe