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 165.2
[M+Na]+ 299.15188 171.2
[M-H]- 275.15538 173.0
[M+NH4]+ 294.19648 175.2
[M+K]+ 315.12582 171.6
[M+H-H2O]+ 259.15992 154.1
[M+HCOO]- 321.16086 183.7
[M+CH3COO]- 335.17651 175.6
[M+Na-2H]- 297.13733 171.5
[M]+ 276.16211 169.6
[M]- 276.16321 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.