CID 45278337

1219080-77-9

Structural Information

Molecular Formula
C28H40NP
SMILES
CN(C)C1=CC=CC=C1P(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6
InChI
InChI=1S/C28H40NP/c1-29(2)25-5-3-4-6-26(25)30(27-13-19-7-20(14-27)9-21(8-19)15-27)28-16-22-10-23(17-28)12-24(11-22)18-28/h3-6,19-24H,7-18H2,1-2H3
InChIKey
MILNYLCUWRWYBI-UHFFFAOYSA-N
Compound name
2-[bis(1-adamantyl)phosphanyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

421.28983 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.29711 215.7
[M+Na]+ 444.27905 222.5
[M+NH4]+ 439.32365 230.9
[M+K]+ 460.25299 208.6
[M-H]- 420.28255 215.6
[M+Na-2H]- 442.26450 206.6
[M]+ 421.28928 217.0
[M]- 421.29038 217.0
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