CID 132274862

2173111-94-7

Structural Information

Molecular Formula
C25H30NO6P
SMILES
CCOC(=O)COP(=O)(OCCC#N)OC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H30NO6P/c1-2-29-24(27)20-31-33(28,30-19-9-18-26)32-23-14-16-25(17-15-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,23H,2,9,14-17,19-20H2,1H3
InChIKey
YKFCBIQNANZBIM-UHFFFAOYSA-N
Compound name
ethyl 2-[2-cyanoethoxy-(4,4-diphenylcyclohexyl)oxyphosphoryl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.18106 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18834 209.9
[M+Na]+ 494.17028 214.5
[M-H]- 470.17378 214.6
[M+NH4]+ 489.21488 217.8
[M+K]+ 510.14422 209.0
[M+H-H2O]+ 454.17832 191.8
[M+HCOO]- 516.17926 227.8
[M+CH3COO]- 530.19491 238.7
[M+Na-2H]- 492.15573 208.9
[M]+ 471.18051 207.5
[M]- 471.18161 207.5
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.