CID 43660

61450-23-5

Structural Information

Molecular Formula
C19H22N2
SMILES
CNC1CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C19H22N2/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/h2-9,16,19-20H,10-13H2,1H3
InChIKey
CLIYBJLXWNYNLZ-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 165.5
[M+Na]+ 301.16750 170.5
[M-H]- 277.17100 172.9
[M+NH4]+ 296.21210 175.3
[M+K]+ 317.14144 171.0
[M+H-H2O]+ 261.17554 154.3
[M+HCOO]- 323.17648 182.7
[M+CH3COO]- 337.19213 175.4
[M+Na-2H]- 299.15295 170.9
[M]+ 278.17773 168.6
[M]- 278.17883 168.6
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.