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]+ 279.185556 166.2
[M+Na]+ 301.167498 171.2
[M-H]- 277.171004 173.2
[M+NH4]+ 296.212103 175.8
[M+K]+ 317.141438 171.4
[M+H-H2O]+ 261.175540 155.0
[M+HCOO]- 323.176481 182.8
[M+CH3COO]- 337.192131 175.9
[M+Na-2H]- 299.152946 170.6
[M]+ 278.17773142 168.4
[M]- 278.17882858 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.