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 221.3
[M+Na]+ 531.13616 221.9
[M-H]- 507.13966 231.9
[M+NH4]+ 526.18076 224.8
[M+K]+ 547.11010 215.5
[M+H-H2O]+ 491.14420 203.2
[M+HCOO]- 553.14514 250.9
[M+CH3COO]- 567.16079 245.6
[M+Na-2H]- 529.12161 221.7
[M]+ 508.14639 216.2
[M]- 508.14749 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.