CID 27321

15475-50-0

Structural Information

Molecular Formula
C21H26ClNO2
SMILES
CN(C)CCOCCOC1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C21H26ClNO2/c1-23(2)11-12-24-13-14-25-21-19-6-4-3-5-16(19)7-8-17-9-10-18(22)15-20(17)21/h3-6,9-10,15,21H,7-8,11-14H2,1-2H3
InChIKey
OMFKTCHQEMXVOE-UHFFFAOYSA-N
Compound name
2-[2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1652 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17248 181.9
[M+Na]+ 382.15442 194.0
[M+NH4]+ 377.19902 190.5
[M+K]+ 398.12836 186.0
[M-H]- 358.15792 186.2
[M+Na-2H]- 380.13987 187.7
[M]+ 359.16465 185.3
[M]- 359.16575 185.3
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.