CID 52673

73855-83-1

Structural Information

Molecular Formula
C25H26N2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CC(C4)NCC5=CC=CC=C5
InChI
InChI=1S/C25H26N2/c1-2-8-19(9-3-1)16-26-22-17-27(18-22)25-23-12-6-4-10-20(23)14-15-21-11-5-7-13-24(21)25/h1-13,22,25-26H,14-18H2
InChIKey
YDPUUAVFUHAKPI-UHFFFAOYSA-N
Compound name
N-benzyl-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

354.2096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.216876 187.0
[M+Na]+ 377.198818 191.1
[M-H]- 353.202324 196.3
[M+NH4]+ 372.243423 193.3
[M+K]+ 393.172758 189.8
[M+H-H2O]+ 337.206860 174.1
[M+HCOO]- 399.207801 203.3
[M+CH3COO]- 413.223451 195.1
[M+Na-2H]- 375.184266 191.3
[M]+ 354.20905142 189.2
[M]- 354.21014858 189.2
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.