CID 624930

10-hydroxy-11-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one

Structural Information

Molecular Formula
C17H17NO3
SMILES
COC1=C(C=C2CCNC3C2=C1C4(C3)C=CC(=O)C=C4)O
InChI
InChI=1S/C17H17NO3/c1-21-16-13(20)8-10-4-7-18-12-9-17(15(16)14(10)12)5-2-11(19)3-6-17/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3
InChIKey
BYJAWHGHAOZTGW-UHFFFAOYSA-N
Compound name
10-hydroxy-11-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

283.12085 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 164.9
[M+Na]+ 306.11007 173.3
[M-H]- 282.11357 167.9
[M+NH4]+ 301.15467 184.6
[M+K]+ 322.08401 167.4
[M+H-H2O]+ 266.11811 157.9
[M+HCOO]- 328.11905 179.1
[M+CH3COO]- 342.13470 175.6
[M+Na-2H]- 304.09552 169.0
[M]+ 283.12030 162.6
[M]- 283.12140 162.6
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