CID 102437528

73038-36-5

Structural Information

Molecular Formula
C41H49N3
SMILES
C[N+](CCN(CC[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2)CC3=CC=CC=C3)(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C41H49N3/c1-43(33-38-20-10-4-11-21-38,34-39-22-12-5-13-23-39)30-28-42(32-37-18-8-3-9-19-37)29-31-44(2,35-40-24-14-6-15-25-40)36-41-26-16-7-17-27-41/h3-27H,28-36H2,1-2H3/q+2
InChIKey
SUGCUAGTRXHUSB-UHFFFAOYSA-N
Compound name
dibenzyl-[2-[benzyl-[2-[dibenzyl(methyl)azaniumyl]ethyl]amino]ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

583.39264 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.39992 254.3
[M+Na]+ 606.38186 249.8
[M-H]- 582.38536 268.2
[M+NH4]+ 601.42646 255.0
[M+K]+ 622.35580 231.8
[M+H-H2O]+ 566.38990 242.9
[M+HCOO]- 628.39084 272.7
[M+CH3COO]- 642.40649 258.3
[M+Na-2H]- 604.36731 261.3
[M]+ 583.39209 251.5
[M]- 583.39319 251.5
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.