CID 376525

Nsc657484

Structural Information

Molecular Formula
C22H39N2O6P
SMILES
CCN(CC)P(=O)(C1=CC2=C(C=C1)OCCOCCOCCOCCO2)N(CC)CC
InChI
InChI=1S/C22H39N2O6P/c1-5-23(6-2)31(25,24(7-3)8-4)20-9-10-21-22(19-20)30-18-16-28-14-12-26-11-13-27-15-17-29-21/h9-10,19H,5-8,11-18H2,1-4H3
InChIKey
SBHABJMCIAKPBX-UHFFFAOYSA-N
Compound name
N-[diethylamino(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)phosphoryl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.25458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26186 220.8
[M+Na]+ 481.24380 219.8
[M-H]- 457.24730 225.9
[M+NH4]+ 476.28840 220.9
[M+K]+ 497.21774 226.3
[M+H-H2O]+ 441.25184 213.9
[M+HCOO]- 503.25278 236.4
[M+CH3COO]- 517.26843 236.1
[M+Na-2H]- 479.22925 220.5
[M]+ 458.25403 221.2
[M]- 458.25513 221.2
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.