CID 71310951

391208-78-9

Structural Information

Molecular Formula
C28H48N4OP2
SMILES
CCN(CC)P(C1=CC=CC=C1OC2=CC=CC=C2P(N(CC)CC)N(CC)CC)N(CC)CC
InChI
InChI=1S/C28H48N4OP2/c1-9-29(10-2)34(30(11-3)12-4)27-23-19-17-21-25(27)33-26-22-18-20-24-28(26)35(31(13-5)14-6)32(15-7)16-8/h17-24H,9-16H2,1-8H3
InChIKey
XYBRYIYICOWBBB-UHFFFAOYSA-N
Compound name
N-[[2-[2-[bis(diethylamino)phosphanyl]phenoxy]phenyl]-(diethylamino)phosphanyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

518.3303 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.33758 243.2
[M+Na]+ 541.31952 240.3
[M-H]- 517.32302 250.2
[M+NH4]+ 536.36412 251.0
[M+K]+ 557.29346 241.0
[M+H-H2O]+ 501.32756 226.4
[M+HCOO]- 563.32850 276.3
[M+CH3COO]- 577.34415 275.9
[M+Na-2H]- 539.30497 230.9
[M]+ 518.32975 252.1
[M]- 518.33085 252.1
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