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]+ 278.19032 165.3
[M+Na]+ 300.17226 171.0
[M-H]- 276.17576 171.4
[M+NH4]+ 295.21686 182.7
[M+K]+ 316.14620 168.9
[M+H-H2O]+ 260.18030 160.1
[M+HCOO]- 322.18124 185.2
[M+CH3COO]- 336.19689 176.1
[M+Na-2H]- 298.15771 170.8
[M]+ 277.18249 162.0
[M]- 277.18359 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.