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]+ 284.128126 164.6
[M+Na]+ 306.110068 172.2
[M-H]- 282.113574 165.7
[M+NH4]+ 301.154673 182.9
[M+K]+ 322.084008 166.6
[M+H-H2O]+ 266.118110 156.6
[M+HCOO]- 328.119051 176.1
[M+CH3COO]- 342.134701 174.4
[M+Na-2H]- 304.095516 171.5
[M]+ 283.12030142 161.9
[M]- 283.12139858 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.