CID 71260105

1421927-53-8

Structural Information

Molecular Formula
C26H22N2O4P2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3P(=O)(O2)NCCNP4(=O)C5=CC=CC=C5C6=CC=CC=C6O4
InChI
InChI=1S/C26H22N2O4P2/c29-33(25-15-7-3-11-21(25)19-9-1-5-13-23(19)31-33)27-17-18-28-34(30)26-16-8-4-12-22(26)20-10-2-6-14-24(20)32-34/h1-16H,17-18H2,(H,27,29)(H,28,30)
InChIKey
PNFQZDSXVPAXNN-UHFFFAOYSA-N
Compound name
N,N'-bis(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

488.10547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.11275 212.9
[M+Na]+ 511.09469 219.1
[M-H]- 487.09819 220.4
[M+NH4]+ 506.13929 223.8
[M+K]+ 527.06863 216.2
[M+H-H2O]+ 471.10273 194.1
[M+HCOO]- 533.10367 237.7
[M+CH3COO]- 547.11932 220.1
[M+Na-2H]- 509.08014 216.3
[M]+ 488.10492 213.4
[M]- 488.10602 213.4
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