CID 3462225

Chembl37533

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
InChI
InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2
InChIKey
VZTUKBKUWSHDFM-UHFFFAOYSA-N
Compound name
3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

265.1103 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 159.0
[M+Na]+ 288.09952 173.8
[M+NH4]+ 283.14412 170.1
[M+K]+ 304.07346 167.5
[M-H]- 264.10302 165.2
[M+Na-2H]- 286.08497 161.5
[M]+ 265.10975 163.1
[M]- 265.11085 163.1
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