CID 457854

58091-64-8

Structural Information

Molecular Formula
C24H20N4P
SMILES
C1=CC=C(C=C1)[P+](CC2=CN=C(C(=N2)N)C#N)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4P/c25-16-23-24(26)28-19(17-27-23)18-29(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17H,18H2,(H2,26,28)/q+1
InChIKey
AMHZKEPSQZCSSM-UHFFFAOYSA-N
Compound name
(6-amino-5-cyanopyrazin-2-yl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.14255 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14983 204.0
[M+Na]+ 418.13177 210.6
[M-H]- 394.13527 208.1
[M+NH4]+ 413.17637 208.9
[M+K]+ 434.10571 195.5
[M+H-H2O]+ 378.13981 185.2
[M+HCOO]- 440.14075 222.5
[M+CH3COO]- 454.15640 225.8
[M+Na-2H]- 416.11722 206.6
[M]+ 395.14200 193.8
[M]- 395.14310 193.8
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.