CID 203903

Propylamine, 3-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-n,n-dimethyl-, oxalate (1:1)

Structural Information

Molecular Formula
C20H25NO
SMILES
CN(C)CCCOC1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C20H25NO/c1-21(2)14-7-15-22-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,20H,7,12-15H2,1-2H3
InChIKey
WUXFBGRLIIIPJG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 169.5
[M+Na]+ 318.18282 181.1
[M+NH4]+ 313.22742 178.5
[M+K]+ 334.15676 173.5
[M-H]- 294.18632 174.2
[M+Na-2H]- 316.16827 176.1
[M]+ 295.19305 172.7
[M]- 295.19415 172.7
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.