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]+ 509.154216 221.3
[M+Na]+ 531.136158 221.9
[M-H]- 507.139664 231.9
[M+NH4]+ 526.180763 224.8
[M+K]+ 547.110098 215.5
[M+H-H2O]+ 491.144200 203.2
[M+HCOO]- 553.145141 250.9
[M+CH3COO]- 567.160791 245.6
[M+Na-2H]- 529.121606 221.7
[M]+ 508.14639142 216.2
[M]- 508.14748858 216.2
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.