CID 42397

Brn 0425069

Structural Information

Molecular Formula
C20H22N2
SMILES
CN(C)CCC1=CC2=C3N1C4=CC=CC=C4CCC3=CC=C2
InChI
InChI=1S/C20H22N2/c1-21(2)13-12-18-14-17-8-5-7-16-11-10-15-6-3-4-9-19(15)22(18)20(16)17/h3-9,14H,10-13H2,1-2H3
InChIKey
USFSFSBGCYFTQG-UHFFFAOYSA-N
Compound name
2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

290.17828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 166.4
[M+Na]+ 313.16750 179.3
[M+NH4]+ 308.21210 176.2
[M+K]+ 329.14144 173.2
[M-H]- 289.17100 170.8
[M+Na-2H]- 311.15295 172.6
[M]+ 290.17773 169.8
[M]- 290.17883 169.8
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

patents stripe