CID 11430600

628333-86-8

Structural Information

Molecular Formula
C29H33N2P
SMILES
CC(C)(C)P(C1=CC=CC=C1N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C
InChI
InChI=1S/C29H33N2P/c1-28(2,3)32(29(4,5)6)27-20-14-13-19-25(27)31-26(23-17-11-8-12-18-23)21-24(30-31)22-15-9-7-10-16-22/h7-21H,1-6H3
InChIKey
JAIIBHBCNPAPPF-UHFFFAOYSA-N
Compound name
ditert-butyl-[2-(3,5-diphenylpyrazol-1-yl)phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

440.23813 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.24541 213.1
[M+Na]+ 463.22735 228.3
[M+NH4]+ 458.27195 220.4
[M+K]+ 479.20129 221.3
[M-H]- 439.23085 220.2
[M+Na-2H]- 461.21280 224.3
[M]+ 440.23758 217.6
[M]- 440.23868 217.6
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

patents stripe