CID 37414

Brn 2874240

Structural Information

Molecular Formula
C20H23N
SMILES
CNCCCC1=CC=CC2=C1C(=C)C3=CC=CC=C3CC2
InChI
InChI=1S/C20H23N/c1-15-19-11-4-3-7-16(19)12-13-18-9-5-8-17(20(15)18)10-6-14-21-2/h3-5,7-9,11,21H,1,6,10,12-14H2,2H3
InChIKey
PXEPALXEEVUMPI-UHFFFAOYSA-N
Compound name
N-methyl-3-(2-methylidene-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 165.3
[M+Na]+ 300.172258 171.0
[M-H]- 276.175764 171.4
[M+NH4]+ 295.216863 182.7
[M+K]+ 316.146198 168.9
[M+H-H2O]+ 260.180300 160.1
[M+HCOO]- 322.181241 185.2
[M+CH3COO]- 336.196891 176.1
[M+Na-2H]- 298.157706 170.8
[M]+ 277.18249142 162.0
[M]- 277.18358858 162.0
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.