CID 498144

Nsc245389

Structural Information

Molecular Formula
C23H24P
SMILES
CC1C[P+](CC2=C1C=CC(=C2)C)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H24P/c1-18-13-14-23-19(2)16-24(17-20(23)15-18,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,19H,16-17H2,1-2H3/q+1
InChIKey
RUGCBCBHQGLVKZ-UHFFFAOYSA-N
Compound name
4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.16156 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16884 187.7
[M+Na]+ 354.15078 193.6
[M-H]- 330.15428 196.6
[M+NH4]+ 349.19538 204.0
[M+K]+ 370.12472 181.6
[M+H-H2O]+ 314.15882 177.7
[M+HCOO]- 376.15976 211.3
[M+CH3COO]- 390.17541 206.8
[M+Na-2H]- 352.13623 189.9
[M]+ 331.16101 183.7
[M]- 331.16211 183.7
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

No patent data available for this compound.