CID 11681770

Schembl1318795

Structural Information

Molecular Formula
C20H17N3O3
SMILES
C1CN(CCC1=O)CC2=CC3=C(C=C2)OC4=CC=CC5=C4C3=NNC5=O
InChI
InChI=1S/C20H17N3O3/c24-13-6-8-23(9-7-13)11-12-4-5-16-15(10-12)19-18-14(20(25)22-21-19)2-1-3-17(18)26-16/h1-5,10H,6-9,11H2,(H,22,25)
InChIKey
IOKIRBHBKCBKDH-UHFFFAOYSA-N
Compound name
4-[(4-oxopiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

347.12698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13426 182.1
[M+Na]+ 370.11620 190.1
[M-H]- 346.11970 185.3
[M+NH4]+ 365.16080 191.6
[M+K]+ 386.09014 183.9
[M+H-H2O]+ 330.12424 169.9
[M+HCOO]- 392.12518 191.7
[M+CH3COO]- 406.14083 190.2
[M+Na-2H]- 368.10165 188.3
[M]+ 347.12643 180.1
[M]- 347.12753 180.1
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.