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]+ 251.154276 156.9
[M+Na]+ 273.136218 163.4
[M-H]- 249.139724 161.6
[M+NH4]+ 268.180823 174.8
[M+K]+ 289.110158 161.1
[M+H-H2O]+ 233.144260 150.6
[M+HCOO]- 295.145201 172.9
[M+CH3COO]- 309.160851 167.5
[M+Na-2H]- 271.121666 164.4
[M]+ 250.14645142 150.8
[M]- 250.14754858 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.