CID 3046019

Brn 1162023

Structural Information

Molecular Formula
C22H26N2O
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CC(C4)N5CCOCC5
InChI
InChI=1S/C22H26N2O/c1-3-7-20-17(5-1)9-10-18-6-2-4-8-21(18)22(20)24-15-19(16-24)23-11-13-25-14-12-23/h1-8,19,22H,9-16H2
InChIKey
AJVRWSUYZDFLPO-UHFFFAOYSA-N
Compound name
4-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.211776 175.9
[M+Na]+ 357.193718 179.2
[M-H]- 333.197224 184.0
[M+NH4]+ 352.238323 180.6
[M+K]+ 373.167658 179.8
[M+H-H2O]+ 317.201760 162.2
[M+HCOO]- 379.202701 186.5
[M+CH3COO]- 393.218351 183.7
[M+Na-2H]- 355.179166 179.1
[M]+ 334.20395142 176.1
[M]- 334.20504858 176.1
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.