CID 3086163

Org-10490

Structural Information

Molecular Formula
C17H19NO
SMILES
CN1CCC2=CC=CC=C2OC3=CC=CC=C3CC1
InChI
InChI=1S/C17H19NO/c1-18-12-10-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)11-13-18/h2-9H,10-13H2,1H3
InChIKey
NREYMNFZCFNECP-UHFFFAOYSA-N
Compound name
11-methyl-2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

253.14667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 155.6
[M+Na]+ 276.135888 162.6
[M-H]- 252.139394 157.1
[M+NH4]+ 271.180493 169.4
[M+K]+ 292.109828 160.2
[M+H-H2O]+ 236.143930 150.7
[M+HCOO]- 298.144871 171.9
[M+CH3COO]- 312.160521 166.2
[M+Na-2H]- 274.121336 162.7
[M]+ 253.14612142 151.5
[M]- 253.14721858 151.5
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

patents stripe