CID 166639392

1366179-40-9

Structural Information

Molecular Formula
C17H15NO2
SMILES
CN1C[C@@H]2[C@@H](C1=O)C3=CC=CC=C3OC4=CC=CC=C24
InChI
InChI=1S/C17H15NO2/c1-18-10-13-11-6-2-4-8-14(11)20-15-9-5-3-7-12(15)16(13)17(18)19/h2-9,13,16H,10H2,1H3/t13-,16-/m0/s1
InChIKey
VTOOLURMEQGGMY-BBRMVZONSA-N
Compound name
(2R,6R)-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 158.0
[M+Na]+ 288.09952 167.2
[M-H]- 264.10302 165.4
[M+NH4]+ 283.14412 176.4
[M+K]+ 304.07346 166.0
[M+H-H2O]+ 248.10756 152.8
[M+HCOO]- 310.10850 175.3
[M+CH3COO]- 324.12415 170.3
[M+Na-2H]- 286.08497 163.5
[M]+ 265.10975 156.7
[M]- 265.11085 156.7
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.