CID 3071876

139194-04-0

Structural Information

Molecular Formula
C15H35N3O4P
SMILES
CN(C)[P+](C)(N1CCOCCOCCOCCOCC1)N(C)C
InChI
InChI=1S/C15H35N3O4P/c1-16(2)23(5,17(3)4)18-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18/h6-15H2,1-5H3/q+1
InChIKey
AICIVPWUIUNHAF-UHFFFAOYSA-N
Compound name
bis(dimethylamino)-methyl-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2365 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24378 189.3
[M+Na]+ 375.22572 187.7
[M-H]- 351.22922 192.2
[M+NH4]+ 370.27032 192.7
[M+K]+ 391.19966 189.2
[M+H-H2O]+ 335.23376 185.0
[M+HCOO]- 397.23470 205.3
[M+CH3COO]- 411.25035 208.7
[M+Na-2H]- 373.21117 192.2
[M]+ 352.23595 183.6
[M]- 352.23705 183.6
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.