CID 29475

H.c. 9011

Structural Information

Molecular Formula
C34H53N4O2P
SMILES
CC[N+](CC)(CCCNP(=O)(NCCC[N+](CC)(CC)CC1=CC=CC=C1)OC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C34H53N4O2P/c1-5-37(6-2,30-32-20-12-9-13-21-32)28-18-26-35-41(39,40-34-24-16-11-17-25-34)36-27-19-29-38(7-3,8-4)31-33-22-14-10-15-23-33/h9-17,20-25H,5-8,18-19,26-31H2,1-4H3,(H2,35,36,39)/q+2
InChIKey
VBACEYFVURPGFM-UHFFFAOYSA-N
Compound name
benzyl-[3-[[[3-[benzyl(diethyl)azaniumyl]propylamino]-phenoxyphosphoryl]amino]propyl]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.3906 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.39788 246.3
[M+Na]+ 603.37982 241.7
[M-H]- 579.38332 253.7
[M+NH4]+ 598.42442 248.6
[M+K]+ 619.35376 226.1
[M+H-H2O]+ 563.38786 236.2
[M+HCOO]- 625.38880 270.4
[M+CH3COO]- 639.40445 258.8
[M+Na-2H]- 601.36527 254.5
[M]+ 580.39005 247.5
[M]- 580.39115 247.5
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.