CID 43661

61450-34-8

Structural Information

Molecular Formula
C19H20N2
SMILES
CNC1CN(C1)C2C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C19H20N2/c1-20-16-12-21(13-16)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-11,16,19-20H,12-13H2,1H3
InChIKey
QXEKDUPWUCYSFM-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.16266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.169936 165.2
[M+Na]+ 299.151878 171.2
[M-H]- 275.155384 173.0
[M+NH4]+ 294.196483 175.2
[M+K]+ 315.125818 171.6
[M+H-H2O]+ 259.159920 154.1
[M+HCOO]- 321.160861 183.7
[M+CH3COO]- 335.176511 175.6
[M+Na-2H]- 297.137326 171.5
[M]+ 276.16211142 169.6
[M]- 276.16320858 169.6
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.