CID 3058530

75370-52-4

Structural Information

Molecular Formula
C17H17NO3
SMILES
COC1=CC23CC(CC4=C2C=CC(=C4)O)NCC3=CC1=O
InChI
InChI=1S/C17H17NO3/c1-21-16-8-17-7-12(18-9-11(17)6-15(16)20)4-10-5-13(19)2-3-14(10)17/h2-3,5-6,8,12,18-19H,4,7,9H2,1H3
InChIKey
MXQIQEANGXDXRF-UHFFFAOYSA-N
Compound name
5-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2(7),3,5,12,15-pentaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 165.3
[M+Na]+ 306.11007 178.8
[M+NH4]+ 301.15467 175.8
[M+K]+ 322.08401 169.2
[M-H]- 282.11357 167.4
[M+Na-2H]- 304.09552 169.7
[M]+ 283.12030 168.0
[M]- 283.12140 168.0
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.