CID 104514

Propanenitrile, 3,3',3'',3'''-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylenephosphinylidyne)]tetrakis-

Structural Information

Molecular Formula
C24H32N4O2P2
SMILES
CC1=C(C(=C(C(=C1CP(=O)(CCC#N)CCC#N)C)C)CP(=O)(CCC#N)CCC#N)C
InChI
InChI=1S/C24H32N4O2P2/c1-19-20(2)24(18-32(30,15-7-11-27)16-8-12-28)22(4)21(3)23(19)17-31(29,13-5-9-25)14-6-10-26/h5-8,13-18H2,1-4H3
InChIKey
OCZHPWXKKUFLNW-UHFFFAOYSA-N
Compound name
3-[[4-[bis(2-cyanoethyl)phosphorylmethyl]-2,3,5,6-tetramethylphenyl]methyl-(2-cyanoethyl)phosphoryl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

470.20004 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20732 166.3
[M+Na]+ 493.18926 170.5
[M-H]- 469.19276 169.8
[M+NH4]+ 488.23386 168.8
[M+K]+ 509.16320 169.0
[M+H-H2O]+ 453.19730 157.9
[M+HCOO]- 515.19824 169.1
[M+CH3COO]- 529.21389 255.9
[M+Na-2H]- 491.17471 162.9
[M]+ 470.19949 162.8
[M]- 470.20059 162.8
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

patents stripe