CID 29471

H.c. 9006

Structural Information

Molecular Formula
C30H45N4O2P
SMILES
C[N+](C)(CCCNP(=O)(NCCC[N+](C)(C)CC1=CC=CC=C1)OC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C30H45N4O2P/c1-33(2,26-28-16-8-5-9-17-28)24-14-22-31-37(35,36-30-20-12-7-13-21-30)32-23-15-25-34(3,4)27-29-18-10-6-11-19-29/h5-13,16-21H,14-15,22-27H2,1-4H3,(H2,31,32,35)/q+2
InChIKey
NGMZJEYRCFAQHF-UHFFFAOYSA-N
Compound name
benzyl-[3-[[[3-[benzyl(dimethyl)azaniumyl]propylamino]-phenoxyphosphoryl]amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.33528 228.7
[M+Na]+ 547.31722 226.0
[M-H]- 523.32072 237.0
[M+NH4]+ 542.36182 233.4
[M+K]+ 563.29116 211.1
[M+H-H2O]+ 507.32526 219.5
[M+HCOO]- 569.32620 254.2
[M+CH3COO]- 583.34185 247.5
[M+Na-2H]- 545.30267 238.8
[M]+ 524.32745 228.8
[M]- 524.32855 228.8
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.