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 164.6
[M+Na]+ 306.11007 172.2
[M-H]- 282.11357 165.7
[M+NH4]+ 301.15467 182.9
[M+K]+ 322.08401 166.6
[M+H-H2O]+ 266.11811 156.6
[M+HCOO]- 328.11905 176.1
[M+CH3COO]- 342.13470 174.4
[M+Na-2H]- 304.09552 171.5
[M]+ 283.12030 161.9
[M]- 283.12140 161.9
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.