CID 52674

Brn 0492254

Structural Information

Molecular Formula
C22H28N2
SMILES
CC(C)(C)NC1CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C22H28N2/c1-22(2,3)23-18-14-24(15-18)21-19-10-6-4-8-16(19)12-13-17-9-5-7-11-20(17)21/h4-11,18,21,23H,12-15H2,1-3H3
InChIKey
NHCQXOSOLVNJNO-UHFFFAOYSA-N
Compound name
N-tert-butyl-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

320.22525 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23253 180.8
[M+Na]+ 343.21447 184.9
[M-H]- 319.21797 187.9
[M+NH4]+ 338.25907 189.2
[M+K]+ 359.18841 185.4
[M+H-H2O]+ 303.22251 169.6
[M+HCOO]- 365.22345 195.4
[M+CH3COO]- 379.23910 189.5
[M+Na-2H]- 341.19992 185.1
[M]+ 320.22470 184.2
[M]- 320.22580 184.2
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.