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]+ 284.128126 164.9
[M+Na]+ 306.110068 173.3
[M-H]- 282.113574 167.9
[M+NH4]+ 301.154673 184.6
[M+K]+ 322.084008 167.4
[M+H-H2O]+ 266.118110 157.9
[M+HCOO]- 328.119051 179.1
[M+CH3COO]- 342.134701 175.6
[M+Na-2H]- 304.095516 169.0
[M]+ 283.12030142 162.6
[M]- 283.12139858 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