CID 21792

5590-86-3

Structural Information

Molecular Formula
C22H25NO
SMILES
C1CC2=CC=CC=C2C(=CCCN3CCOCC3)C4=CC=CC=C41
InChI
InChI=1S/C22H25NO/c1-3-8-20-18(6-1)11-12-19-7-2-4-9-21(19)22(20)10-5-13-23-14-16-24-17-15-23/h1-4,6-10H,5,11-17H2
InChIKey
ZQALRUNJXMWBAX-UHFFFAOYSA-N
Compound name
4-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

319.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20088 182.3
[M+Na]+ 342.18282 194.9
[M+NH4]+ 337.22742 191.1
[M+K]+ 358.15676 186.3
[M-H]- 318.18632 188.6
[M+Na-2H]- 340.16827 188.2
[M]+ 319.19305 186.1
[M]- 319.19415 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe