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]+ 266.117576 158.0
[M+Na]+ 288.099518 167.2
[M-H]- 264.103024 165.4
[M+NH4]+ 283.144123 176.4
[M+K]+ 304.073458 166.0
[M+H-H2O]+ 248.107560 152.8
[M+HCOO]- 310.108501 175.3
[M+CH3COO]- 324.124151 170.3
[M+Na-2H]- 286.084966 163.5
[M]+ 265.10975142 156.7
[M]- 265.11084858 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.