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]+ 355.21688 187.0
[M+Na]+ 377.19882 191.1
[M-H]- 353.20232 196.3
[M+NH4]+ 372.24342 193.3
[M+K]+ 393.17276 189.8
[M+H-H2O]+ 337.20686 174.1
[M+HCOO]- 399.20780 203.3
[M+CH3COO]- 413.22345 195.1
[M+Na-2H]- 375.18427 191.3
[M]+ 354.20905 189.2
[M]- 354.21015 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.