CID 3070053

Brn 5181521

Structural Information

Molecular Formula
C30H32N2O2P2
SMILES
CC1=CC=C(C=C1)N2CP(=O)(CN(CP(=O)(C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)C5=CC=CC=C5
InChI
InChI=1S/C30H32N2O2P2/c1-25-13-17-27(18-14-25)31-21-35(33,29-9-5-3-6-10-29)23-32(28-19-15-26(2)16-20-28)24-36(34,22-31)30-11-7-4-8-12-30/h3-20H,21-24H2,1-2H3
InChIKey
YGULQUHDABWFSB-UHFFFAOYSA-N
Compound name
1,5-bis(4-methylphenyl)-3,7-diphenyl-1,5,3lambda5,7lambda5-diazadiphosphocane 3,7-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1939 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.20118 198.0
[M+Na]+ 537.18312 201.2
[M-H]- 513.18662 202.0
[M+NH4]+ 532.22772 200.7
[M+K]+ 553.15706 198.9
[M+H-H2O]+ 497.19116 187.6
[M+HCOO]- 559.19210 208.1
[M+CH3COO]- 573.20775 199.2
[M+Na-2H]- 535.16857 191.6
[M]+ 514.19335 195.3
[M]- 514.19445 195.3
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.