CID 35868

5h-dibenzo(a,d)cycloheptene, 10,11-dihydro-5-((2-methylamino)ethoxy)-, 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]+ 268.169596 160.4
[M+Na]+ 290.151538 165.6
[M-H]- 266.155044 166.4
[M+NH4]+ 285.196143 177.8
[M+K]+ 306.125478 165.1
[M+H-H2O]+ 250.159580 155.1
[M+HCOO]- 312.160521 180.9
[M+CH3COO]- 326.176171 171.5
[M+Na-2H]- 288.136986 167.7
[M]+ 267.16177142 158.1
[M]- 267.16286858 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.