CID 160020

135991-95-6

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

170
Patents

294.2096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 169.9
[M+Na]+ 317.19882 173.8
[M-H]- 293.20232 172.5
[M+NH4]+ 312.24342 186.1
[M+K]+ 333.17276 166.3
[M+H-H2O]+ 277.20686 159.8
[M+HCOO]- 339.20780 179.3
[M+CH3COO]- 353.22345 177.9
[M+Na-2H]- 315.18427 171.7
[M]+ 294.20905 161.3
[M]- 294.21015 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