CID 457385

Nsc211368

Structural Information

Molecular Formula
C23H22N4P
SMILES
C1=CC=C(C=C1)[P+](CC2=CN=C(N=C2N)N)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H22N4P/c24-22-18(16-26-23(25)27-22)17-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16H,17H2,(H4,24,25,26,27)/q+1
InChIKey
YYOIZVLAEDBYHU-UHFFFAOYSA-N
Compound name
(2,4-diaminopyrimidin-5-yl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1582 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16548 196.9
[M+Na]+ 408.14742 200.7
[M-H]- 384.15092 204.2
[M+NH4]+ 403.19202 203.2
[M+K]+ 424.12136 187.6
[M+H-H2O]+ 368.15546 184.6
[M+HCOO]- 430.15640 220.8
[M+CH3COO]- 444.17205 217.8
[M+Na-2H]- 406.13287 201.6
[M]+ 385.15765 190.5
[M]- 385.15875 190.5
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

No patent data available for this compound.