CID 52682

Azetidine, 1-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-3-(2-propylamino)-

Structural Information

Molecular Formula
C21H26N2
SMILES
CC(C)NC1CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C21H26N2/c1-15(2)22-18-13-23(14-18)21-19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21/h3-10,15,18,21-22H,11-14H2,1-2H3
InChIKey
ABXMUFLPXDGUSF-UHFFFAOYSA-N
Compound name
N-propan-2-yl-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

306.2096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 174.0
[M+Na]+ 329.19882 181.4
[M+NH4]+ 324.24342 179.1
[M+K]+ 345.17276 175.9
[M-H]- 305.20232 176.6
[M+Na-2H]- 327.18427 177.9
[M]+ 306.20905 174.8
[M]- 306.21015 174.8
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.