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]+ 320.200876 176.8
[M+Na]+ 342.182818 180.2
[M-H]- 318.186324 183.5
[M+NH4]+ 337.227423 189.1
[M+K]+ 358.156758 178.2
[M+H-H2O]+ 302.190860 168.6
[M+HCOO]- 364.191801 190.1
[M+CH3COO]- 378.207451 185.3
[M+Na-2H]- 340.168266 181.0
[M]+ 319.19305142 169.8
[M]- 319.19414858 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