CID 30470

9002 hc

Structural Information

Molecular Formula
C17H35N4O2P
SMILES
CC1=CC=C(C=C1)OP(=O)(NCC[N+](C)(C)C)NCC[N+](C)(C)C
InChI
InChI=1S/C17H35N4O2P/c1-16-8-10-17(11-9-16)23-24(22,18-12-14-20(2,3)4)19-13-15-21(5,6)7/h8-11H,12-15H2,1-7H3,(H2,18,19,22)/q+2
InChIKey
FKLPGSRHZVAFMJ-UHFFFAOYSA-N
Compound name
trimethyl-[2-[[(4-methylphenoxy)-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.24976 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.25704 180.9
[M+Na]+ 381.23898 183.5
[M-H]- 357.24248 185.7
[M+NH4]+ 376.28358 194.4
[M+K]+ 397.21292 172.1
[M+H-H2O]+ 341.24702 176.8
[M+HCOO]- 403.24796 209.2
[M+CH3COO]- 417.26361 219.2
[M+Na-2H]- 379.22443 192.7
[M]+ 358.24921 182.9
[M]- 358.25031 182.9
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.