CID 37355

Brn 2946704

Structural Information

Molecular Formula
C20H23N
SMILES
CN(C)CCC1=CC=CC2=C1C(=C)C3=CC=CC=C3CC2
InChI
InChI=1S/C20H23N/c1-15-19-10-5-4-7-16(19)11-12-17-8-6-9-18(20(15)17)13-14-21(2)3/h4-10H,1,11-14H2,2-3H3
InChIKey
MCNIVZWPLUFFNI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-methylidene-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18304 Da
Monoisotopic Mass

4.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.