CID 547246

10,11-dihydro-n,n-dimethyl-5-methylene-5h-dibenzo[a,d]cycloheptene-10-ethanamine maleate (1:1)

Structural Information

Molecular Formula
C20H23N
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=C)C3=CC=CC=C13
InChI
InChI=1S/C20H23N/c1-15-18-9-5-4-8-16(18)14-17(12-13-21(2)3)20-11-7-6-10-19(15)20/h4-11,17H,1,12-14H2,2-3H3
InChIKey
ODNWXHGQXNJQFP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

277.18304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 164.7
[M+Na]+ 300.172258 170.5
[M-H]- 276.175764 172.2
[M+NH4]+ 295.216863 182.7
[M+K]+ 316.146198 169.7
[M+H-H2O]+ 260.180300 159.4
[M+HCOO]- 322.181241 185.0
[M+CH3COO]- 336.196891 176.1
[M+Na-2H]- 298.157706 169.6
[M]+ 277.18249142 162.5
[M]- 277.18358858 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe