CID 157009910

Melonin

Structural Information

Molecular Formula
C19H26N2
SMILES
CCC12CCCN3C1C4C5=CC=CC=C5NC4(CC2)CC3
InChI
InChI=1S/C19H26N2/c1-2-18-8-5-12-21-13-11-19(10-9-18)16(17(18)21)14-6-3-4-7-15(14)20-19/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3
InChIKey
NEDKGJGWOHMJIS-UHFFFAOYSA-N
Compound name
15-ethyl-2,11-diazapentacyclo[9.6.2.01,9.03,8.010,15]nonadeca-3,5,7-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

282.2096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 173.3
[M+Na]+ 305.19882 184.6
[M+NH4]+ 300.24342 186.9
[M+K]+ 321.17276 173.4
[M-H]- 281.20232 176.2
[M+Na-2H]- 303.18427 177.0
[M]+ 282.20905 176.1
[M]- 282.21015 176.1
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

patents stripe