CID 30472

9003 hc

Structural Information

Molecular Formula
C17H35N4O3P
SMILES
C[N+](C)(C)CCNP(=O)(NCC[N+](C)(C)C)OC1=CC=CC=C1OC
InChI
InChI=1S/C17H35N4O3P/c1-20(2,3)14-12-18-25(22,19-13-15-21(4,5)6)24-17-11-9-8-10-16(17)23-7/h8-11H,12-15H2,1-7H3,(H2,18,19,22)/q+2
InChIKey
MDUACGOTINWIEF-UHFFFAOYSA-N
Compound name
2-[[(2-methoxyphenoxy)-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2447 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.25198 183.8
[M+Na]+ 397.23392 186.1
[M-H]- 373.23742 188.6
[M+NH4]+ 392.27852 221.4
[M+K]+ 413.20786 175.3
[M+H-H2O]+ 357.24196 179.4
[M+HCOO]- 419.24290 245.6
[M+CH3COO]- 433.25855 221.2
[M+Na-2H]- 395.21937 196.0
[M]+ 374.24415 187.0
[M]- 374.24525 187.0
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.