CID 155820549

N1,n3-bis(diphenylphosphoroso)benzene-1,3-diamine

Structural Information

Molecular Formula
C30H26N2O2P2
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)NC3=CC(=CC=C3)NP(=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H26N2O2P2/c33-35(27-16-5-1-6-17-27,28-18-7-2-8-19-28)31-25-14-13-15-26(24-25)32-36(34,29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H,(H,31,33)(H,32,34)
InChIKey
FAVUPDORDVSRCL-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(diphenylphosphoryl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.14694 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.15422 226.6
[M+Na]+ 531.13616 241.7
[M+NH4]+ 526.18076 233.3
[M+K]+ 547.11010 231.6
[M-H]- 507.13966 237.3
[M+Na-2H]- 529.12161 241.3
[M]+ 508.14639 231.9
[M]- 508.14749 231.9
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.