CID 42405

Brn 0422644

Structural Information

Molecular Formula
C19H20N2
SMILES
CN(C)CC1=CC2=C3N1C4=CC=CC=C4CCC3=CC=C2
InChI
InChI=1S/C19H20N2/c1-20(2)13-17-12-16-8-5-7-15-11-10-14-6-3-4-9-18(14)21(17)19(15)16/h3-9,12H,10-11,13H2,1-2H3
InChIKey
NWLUTOUGKAZONJ-UHFFFAOYSA-N
Compound name
1-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.16266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 162.0
[M+Na]+ 299.15188 175.1
[M+NH4]+ 294.19648 171.9
[M+K]+ 315.12582 169.2
[M-H]- 275.15538 166.4
[M+Na-2H]- 297.13733 168.4
[M]+ 276.16211 165.4
[M]- 276.16321 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.