CID 53430915

894085-97-3

Structural Information

Molecular Formula
C21H27N2P
SMILES
CC(C)(C)P(C1=CC=NN1C2=CC=CC3=CC=CC=C32)C(C)(C)C
InChI
InChI=1S/C21H27N2P/c1-20(2,3)24(21(4,5)6)19-14-15-22-23(19)18-13-9-11-16-10-7-8-12-17(16)18/h7-15H,1-6H3
InChIKey
XJZYJFVKLNCBQF-UHFFFAOYSA-N
Compound name
ditert-butyl-(2-naphthalen-1-ylpyrazol-3-yl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

338.1912 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19848 190.4
[M+Na]+ 361.18042 197.7
[M-H]- 337.18392 194.5
[M+NH4]+ 356.22502 204.9
[M+K]+ 377.15436 192.8
[M+H-H2O]+ 321.18846 179.5
[M+HCOO]- 383.18940 212.2
[M+CH3COO]- 397.20505 215.0
[M+Na-2H]- 359.16587 190.6
[M]+ 338.19065 193.5
[M]- 338.19175 193.5
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