CID 11547931

894086-00-1

Structural Information

Molecular Formula
C32H35N4P
SMILES
CC(C)(C)P(C1=CC=NN1C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C
InChI
InChI=1S/C32H35N4P/c1-31(2,3)37(32(4,5)6)27-22-23-33-36(27)30-28(24-16-10-7-11-17-24)34-35(26-20-14-9-15-21-26)29(30)25-18-12-8-13-19-25/h7-23H,1-6H3
InChIKey
PTXJGGGNGMPMBG-UHFFFAOYSA-N
Compound name
ditert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

892
Patents

506.25995 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.26723 229.4
[M+Na]+ 529.24917 234.4
[M-H]- 505.25267 239.5
[M+NH4]+ 524.29377 233.5
[M+K]+ 545.22311 227.0
[M+H-H2O]+ 489.25721 213.9
[M+HCOO]- 551.25815 248.4
[M+CH3COO]- 565.27380 235.7
[M+Na-2H]- 527.23462 223.1
[M]+ 506.25940 230.6
[M]- 506.26050 230.6
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