CID 160020

Tetrindole

Structural Information

Molecular Formula
C20H26N2
SMILES
C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5
InChI
InChI=1S/C20H26N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14,18,21H,1-8,11-12H2
InChIKey
AUXCHYJDVJZEPG-UHFFFAOYSA-N
Compound name
12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

158
Patents

294.2096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.216876 169.9
[M+Na]+ 317.198818 173.8
[M-H]- 293.202324 172.5
[M+NH4]+ 312.243423 186.1
[M+K]+ 333.172758 166.3
[M+H-H2O]+ 277.206860 159.8
[M+HCOO]- 339.207801 179.3
[M+CH3COO]- 353.223451 177.9
[M+Na-2H]- 315.184266 171.7
[M]+ 294.20905142 161.3
[M]- 294.21014858 161.3
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