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 183.6
[M+Na]+ 382.15442 190.0
[M-H]- 358.15792 190.4
[M+NH4]+ 377.19902 199.3
[M+K]+ 398.12836 189.5
[M+H-H2O]+ 342.16246 177.5
[M+HCOO]- 404.16340 199.6
[M+CH3COO]- 418.17905 221.3
[M+Na-2H]- 380.13987 187.6
[M]+ 359.16465 187.2
[M]- 359.16575 187.2
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.