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

4
Patents

253.14667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 155.6
[M+Na]+ 276.13589 162.6
[M-H]- 252.13939 157.1
[M+NH4]+ 271.18049 169.4
[M+K]+ 292.10983 160.2
[M+H-H2O]+ 236.14393 150.7
[M+HCOO]- 298.14487 171.9
[M+CH3COO]- 312.16052 166.2
[M+Na-2H]- 274.12134 162.7
[M]+ 253.14612 151.5
[M]- 253.14722 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