CID 35868

2-((10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-n-methylethylamine hydrogen maleate

Structural Information

Molecular Formula
C18H21NO
SMILES
CNCCOC1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C18H21NO/c1-19-12-13-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,18-19H,10-13H2,1H3
InChIKey
VNEOQXWIIAJSNQ-UHFFFAOYSA-N
Compound name
N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 160.4
[M+Na]+ 290.15154 165.6
[M-H]- 266.15504 166.4
[M+NH4]+ 285.19614 177.8
[M+K]+ 306.12548 165.1
[M+H-H2O]+ 250.15958 155.1
[M+HCOO]- 312.16052 180.9
[M+CH3COO]- 326.17617 171.5
[M+Na-2H]- 288.13699 167.7
[M]+ 267.16177 158.1
[M]- 267.16287 158.1
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.