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]+ 291.185556 171.2
[M+Na]+ 313.167498 180.2
[M-H]- 289.171004 179.0
[M+NH4]+ 308.212103 190.8
[M+K]+ 329.141438 178.1
[M+H-H2O]+ 273.175540 165.2
[M+HCOO]- 335.176481 192.0
[M+CH3COO]- 349.192131 183.3
[M+Na-2H]- 311.152946 176.4
[M]+ 290.17773142 173.2
[M]- 290.17882858 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.