CID 6434789

Dibenzyl(5-dibenzylamino-2,4-pentadienylidene)ammonium chloride sesquihydrate

Structural Information

Molecular Formula
C33H33N2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)/C=C/C=C/C=[N+](CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C33H33N2/c1-6-16-30(17-7-1)26-34(27-31-18-8-2-9-19-31)24-14-5-15-25-35(28-32-20-10-3-11-21-32)29-33-22-12-4-13-23-33/h1-25H,26-29H2/q+1
InChIKey
KCNCPMRWFVWTII-UHFFFAOYSA-N
Compound name
dibenzyl-[(2E,4E)-5-(dibenzylamino)penta-2,4-dienylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.26437 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.27165 221.1
[M+Na]+ 480.25359 238.7
[M+NH4]+ 475.29819 230.4
[M+K]+ 496.22753 225.5
[M-H]- 456.25709 233.9
[M+Na-2H]- 478.23904 235.9
[M]+ 457.26382 227.8
[M]- 457.26492 227.8
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.