CID 4379935

149341-34-4

Structural Information

Molecular Formula
C31H22NP
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=NC=CC6=CC=CC=C65
InChI
InChI=1S/C31H22NP/c1-3-13-25(14-4-1)33(26-15-5-2-6-16-26)29-20-19-23-11-7-9-17-27(23)30(29)31-28-18-10-8-12-24(28)21-22-32-31/h1-22H
InChIKey
YMJAIEYASUCCMJ-UHFFFAOYSA-N
Compound name
(1-isoquinolin-1-ylnaphthalen-2-yl)-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

365
Patents

439.149 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.15628 212.5
[M+Na]+ 462.13822 218.0
[M-H]- 438.14172 222.4
[M+NH4]+ 457.18282 220.2
[M+K]+ 478.11216 208.6
[M+H-H2O]+ 422.14626 195.7
[M+HCOO]- 484.14720 234.6
[M+CH3COO]- 498.16285 219.5
[M+Na-2H]- 460.12367 213.3
[M]+ 439.14845 210.0
[M]- 439.14955 210.0
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