CID 3052005

Vufb3088

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)CCN4CCOCC4
InChI
InChI=1S/C21H25NO/c1-3-7-19-17(5-1)9-10-18-6-2-4-8-20(18)21(19)11-12-22-13-15-23-16-14-22/h1-8,21H,9-16H2
InChIKey
UISGJAPWTWITEI-UHFFFAOYSA-N
Compound name
4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 172.9
[M+Na]+ 330.182818 176.3
[M-H]- 306.186324 179.8
[M+NH4]+ 325.227423 185.6
[M+K]+ 346.156758 175.1
[M+H-H2O]+ 290.190860 164.8
[M+HCOO]- 352.191801 186.4
[M+CH3COO]- 366.207451 181.7
[M+Na-2H]- 328.168266 177.7
[M]+ 307.19305142 166.3
[M]- 307.19414858 166.3
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

No patent data available for this compound.