CID 20542

4467-97-4

Structural Information

Molecular Formula
C23H28N2
SMILES
CN1CCN(CC1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C23H28N2/c1-24-15-17-25(18-16-24)14-6-11-23-21-9-4-2-7-19(21)12-13-20-8-3-5-10-22(20)23/h2-5,7-11H,6,12-18H2,1H3
InChIKey
GFWKUARFHDZXKH-UHFFFAOYSA-N
Compound name
1-methyl-4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22525 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23253 183.8
[M+Na]+ 355.21447 187.8
[M-H]- 331.21797 188.8
[M+NH4]+ 350.25907 195.8
[M+K]+ 371.18841 183.8
[M+H-H2O]+ 315.22251 174.1
[M+HCOO]- 377.22345 196.2
[M+CH3COO]- 391.23910 191.5
[M+Na-2H]- 353.19992 186.2
[M]+ 332.22470 176.1
[M]- 332.22580 176.1
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.