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]+ 335.21178 175.9
[M+Na]+ 357.19372 179.2
[M-H]- 333.19722 184.0
[M+NH4]+ 352.23832 180.6
[M+K]+ 373.16766 179.8
[M+H-H2O]+ 317.20176 162.2
[M+HCOO]- 379.20270 186.5
[M+CH3COO]- 393.21835 183.7
[M+Na-2H]- 355.17917 179.1
[M]+ 334.20395 176.1
[M]- 334.20505 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.