CID 52679

Brn 0488984

Structural Information

Molecular Formula
C19H22N2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CC(C4)CN
InChI
InChI=1S/C19H22N2/c20-11-14-12-21(13-14)19-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)19/h1-8,14,19H,9-13,20H2
InChIKey
NIJTYTBBOAANFT-UHFFFAOYSA-N
Compound name
[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.17828 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 166.2
[M+Na]+ 301.16750 171.2
[M-H]- 277.17100 173.2
[M+NH4]+ 296.21210 175.8
[M+K]+ 317.14144 171.4
[M+H-H2O]+ 261.17554 155.0
[M+HCOO]- 323.17648 182.8
[M+CH3COO]- 337.19213 175.9
[M+Na-2H]- 299.15295 170.6
[M]+ 278.17773 168.4
[M]- 278.17883 168.4
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.