CID 71310816

1152313-76-2

Structural Information

Molecular Formula
C26H28NOP
SMILES
CC(C)[C@H]1C(OC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)(C)C
InChI
InChI=1S/C26H28NOP/c1-19(2)24-26(3,4)28-25(27-24)22-17-11-12-18-23(22)29(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-19,24H,1-4H3/t24-/m0/s1
InChIKey
JGUZEKBWCGNHHN-DEOSSOPVSA-N
Compound name
[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.19086 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19814 203.1
[M+Na]+ 424.18008 208.1
[M-H]- 400.18358 213.5
[M+NH4]+ 419.22468 214.5
[M+K]+ 440.15402 203.7
[M+H-H2O]+ 384.18812 190.0
[M+HCOO]- 446.18906 225.9
[M+CH3COO]- 460.20471 212.1
[M+Na-2H]- 422.16553 197.8
[M]+ 401.19031 203.3
[M]- 401.19141 203.3
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

No patent data available for this compound.