CID 42407

Brn 0490767

Structural Information

Molecular Formula
C20H22N2
SMILES
CC1=C(C2=CC=CC3=C2N1C4=CC=CC=C4CC3)CN(C)C
InChI
InChI=1S/C20H22N2/c1-14-18(13-21(2)3)17-9-6-8-16-12-11-15-7-4-5-10-19(15)22(14)20(16)17/h4-10H,11-13H2,1-3H3
InChIKey
PFPQXCTYSWOVRY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(16-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-15-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.17828 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 171.2
[M+Na]+ 313.16750 180.2
[M-H]- 289.17100 179.0
[M+NH4]+ 308.21210 190.8
[M+K]+ 329.14144 178.1
[M+H-H2O]+ 273.17554 165.2
[M+HCOO]- 335.17648 192.0
[M+CH3COO]- 349.19213 183.3
[M+Na-2H]- 311.15295 176.4
[M]+ 290.17773 173.2
[M]- 290.17883 173.2
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.