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]+ 296.200876 169.3
[M+Na]+ 318.182818 173.8
[M-H]- 294.186324 176.3
[M+NH4]+ 313.227423 186.2
[M+K]+ 334.156758 174.1
[M+H-H2O]+ 278.190860 163.4
[M+HCOO]- 340.191801 189.6
[M+CH3COO]- 354.207451 180.1
[M+Na-2H]- 316.168266 174.8
[M]+ 295.19305142 168.7
[M]- 295.19414858 168.7
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.