CID 21678144

Dpo-1

Structural Information

Molecular Formula
C22H29OP
SMILES
C[C@@H]1CC[C@H]([C@H](C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
InChIKey
BPCNGVCAHAIZEE-COPCDDAFSA-N
Compound name
[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

2
Patents

340.19562 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20290 185.0
[M+Na]+ 363.18484 198.3
[M+NH4]+ 358.22944 193.7
[M+K]+ 379.15878 189.8
[M-H]- 339.18834 191.3
[M+Na-2H]- 361.17029 193.9
[M]+ 340.19507 188.8
[M]- 340.19617 188.8
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