CID 3071874

N,n'-tetramethyldiamidophosphite-aza-18-crown-6 diiodide

Structural Information

Molecular Formula
C22H54N6O4P2
SMILES
CN(C)[P+](C)(N1CCOCCOCCN(CCOCCOCC1)[P+](C)(N(C)C)N(C)C)N(C)C
InChI
InChI=1S/C22H54N6O4P2/c1-23(2)33(9,24(3)4)27-11-15-29-19-21-31-17-13-28(34(10,25(5)6)26(7)8)14-18-32-22-20-30-16-12-27/h11-22H2,1-10H3/q+2
InChIKey
LLORGDGYZXHVQY-UHFFFAOYSA-N
Compound name
[16-[bis(dimethylamino)-methylphosphaniumyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-bis(dimethylamino)-methylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.36816 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.37544 227.0
[M+Na]+ 551.35738 220.7
[M-H]- 527.36088 230.5
[M+NH4]+ 546.40198 223.0
[M+K]+ 567.33132 219.0
[M+H-H2O]+ 511.36542 221.7
[M+HCOO]- 573.36636 243.9
[M+CH3COO]- 587.38201 246.0
[M+Na-2H]- 549.34283 229.8
[M]+ 528.36761 220.4
[M]- 528.36871 220.4
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

No patent data available for this compound.