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 176.8
[M+Na]+ 342.18282 180.2
[M-H]- 318.18632 183.5
[M+NH4]+ 337.22742 189.1
[M+K]+ 358.15676 178.2
[M+H-H2O]+ 302.19086 168.6
[M+HCOO]- 364.19180 190.1
[M+CH3COO]- 378.20745 185.3
[M+Na-2H]- 340.16827 181.0
[M]+ 319.19305 169.8
[M]- 319.19415 169.8
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