CID 43661

Brn 0486917

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]+ 277.16994 163.1
[M+Na]+ 299.15188 172.1
[M+NH4]+ 294.19648 168.7
[M+K]+ 315.12582 166.2
[M-H]- 275.15538 166.2
[M+Na-2H]- 297.13733 168.8
[M]+ 276.16211 164.4
[M]- 276.16321 164.4
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.