CID 5287653

Chembl596995

Structural Information

Molecular Formula
C19H15NO4
SMILES
COC1=C(C=C2C3=C(C4=CC5=C(C=C4C3)OCO5)N=CC2=C1)OC
InChI
InChI=1S/C19H15NO4/c1-21-15-5-11-8-20-19-13-7-18-17(23-9-24-18)4-10(13)3-14(19)12(11)6-16(15)22-2/h4-8H,3,9H2,1-2H3
InChIKey
LXDREMZQGAILJU-UHFFFAOYSA-N
Compound name
15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17,19-octaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

15
Patents

321.1001 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 170.4
[M+Na]+ 344.08932 181.8
[M-H]- 320.09282 178.7
[M+NH4]+ 339.13392 188.7
[M+K]+ 360.06326 179.5
[M+H-H2O]+ 304.09736 164.3
[M+HCOO]- 366.09830 188.1
[M+CH3COO]- 380.11395 183.3
[M+Na-2H]- 342.07477 175.3
[M]+ 321.09955 178.1
[M]- 321.10065 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe