CID 209305

19701-64-5

Structural Information

Molecular Formula
C17H18N2
SMILES
C1CC2=CC=CC=C2C3CN(CC4=CC=CC1=C34)N
InChI
InChI=1S/C17H18N2/c18-19-10-14-6-3-5-13-9-8-12-4-1-2-7-15(12)16(11-19)17(13)14/h1-7,16H,8-11,18H2
InChIKey
LIWVELIQVOOQSK-UHFFFAOYSA-N
Compound name
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 155.5
[M+Na]+ 273.13622 167.9
[M+NH4]+ 268.18082 165.5
[M+K]+ 289.11016 160.6
[M-H]- 249.13972 159.9
[M+Na-2H]- 271.12167 161.2
[M]+ 250.14645 158.7
[M]- 250.14755 158.7
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.