CID 34452

H.c. 9001

Structural Information

Molecular Formula
C16H33N4O2P
SMILES
C[N+](C)(C)CCNP(=O)(NCC[N+](C)(C)C)OC1=CC=CC=C1
InChI
InChI=1S/C16H33N4O2P/c1-19(2,3)14-12-17-23(21,18-13-15-20(4,5)6)22-16-10-8-7-9-11-16/h7-11H,12-15H2,1-6H3,(H2,17,18,21)/q+2
InChIKey
ZGWHJCXRBAXZMW-UHFFFAOYSA-N
Compound name
trimethyl-[2-[[phenoxy-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.2341 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24138 176.4
[M+Na]+ 367.22332 178.5
[M-H]- 343.22682 181.0
[M+NH4]+ 362.26792 190.2
[M+K]+ 383.19726 167.3
[M+H-H2O]+ 327.23136 172.2
[M+HCOO]- 389.23230 205.1
[M+CH3COO]- 403.24795 215.2
[M+Na-2H]- 365.20877 189.2
[M]+ 344.23355 177.7
[M]- 344.23465 177.7
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.