CID 6434789

63957-48-2

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 225.1
[M+Na]+ 480.25359 224.5
[M-H]- 456.25709 236.9
[M+NH4]+ 475.29819 231.5
[M+K]+ 496.22753 210.6
[M+H-H2O]+ 440.26163 213.8
[M+HCOO]- 502.26257 247.6
[M+CH3COO]- 516.27822 235.3
[M+Na-2H]- 478.23904 228.2
[M]+ 457.26382 222.0
[M]- 457.26492 222.0
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.