CID 52674

Azetidine, 3-tert-butylamino-1-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-

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]+ 321.232526 180.8
[M+Na]+ 343.214468 184.9
[M-H]- 319.217974 187.9
[M+NH4]+ 338.259073 189.2
[M+K]+ 359.188408 185.4
[M+H-H2O]+ 303.222510 169.6
[M+HCOO]- 365.223451 195.4
[M+CH3COO]- 379.239101 189.5
[M+Na-2H]- 341.199916 185.1
[M]+ 320.22470142 184.2
[M]- 320.22579858 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.