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 156.9
[M+Na]+ 273.13622 163.4
[M-H]- 249.13972 161.6
[M+NH4]+ 268.18082 174.8
[M+K]+ 289.11016 161.1
[M+H-H2O]+ 233.14426 150.6
[M+HCOO]- 295.14520 172.9
[M+CH3COO]- 309.16085 167.5
[M+Na-2H]- 271.12167 164.4
[M]+ 250.14645 150.8
[M]- 250.14755 150.8
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.