CID 20991

Peraptene

Structural Information

Molecular Formula
C20H24N2
SMILES
CN1CCN(CC1)C2CC3=CC=CC=C3CC4=CC=CC=C24
InChI
InChI=1S/C20H24N2/c1-21-10-12-22(13-11-21)20-15-17-7-3-2-6-16(17)14-18-8-4-5-9-19(18)20/h2-9,20H,10-15H2,1H3
InChIKey
ZMXGUMFXROHSNK-UHFFFAOYSA-N
Compound name
1-methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.19394 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.201216 171.4
[M+Na]+ 315.183158 176.2
[M-H]- 291.186664 176.8
[M+NH4]+ 310.227763 185.0
[M+K]+ 331.157098 173.5
[M+H-H2O]+ 275.191200 162.2
[M+HCOO]- 337.192141 184.6
[M+CH3COO]- 351.207791 180.2
[M+Na-2H]- 313.168606 175.4
[M]+ 292.19339142 163.5
[M]- 292.19448858 163.5
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

patents stripe