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 175.6
[M+Na]+ 329.19882 179.3
[M-H]- 305.20232 182.6
[M+NH4]+ 324.24342 184.2
[M+K]+ 345.17276 180.0
[M+H-H2O]+ 289.20686 164.0
[M+HCOO]- 351.20780 191.0
[M+CH3COO]- 365.22345 184.4
[M+Na-2H]- 327.18427 178.7
[M]+ 306.20905 178.6
[M]- 306.21015 178.6
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.