CID 3046636

62469-30-1

Structural Information

Molecular Formula
C27H28N2
SMILES
C1CC2=CC=CC=C2C(=CCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C51
InChI
InChI=1S/C27H28N2/c1-2-10-24(11-3-1)29-20-18-28(19-21-29)17-16-27-25-12-6-4-8-22(25)14-15-23-9-5-7-13-26(23)27/h1-13,16H,14-15,17-21H2
InChIKey
RKAYJIPURULFFG-UHFFFAOYSA-N
Compound name
1-phenyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22525 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23253 198.5
[M+Na]+ 403.21447 202.0
[M-H]- 379.21797 205.9
[M+NH4]+ 398.25907 207.8
[M+K]+ 419.18841 196.7
[M+H-H2O]+ 363.22251 187.4
[M+HCOO]- 425.22345 210.5
[M+CH3COO]- 439.23910 205.0
[M+Na-2H]- 401.19992 200.6
[M]+ 380.22470 189.2
[M]- 380.22580 189.2
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.