CID 11660296

E7016

Structural Information

Molecular Formula
C20H19N3O3
SMILES
C1CN(CCC1O)CC2=CC3=C(C=C2)OC4=CC=CC5=C4C3=NNC5=O
InChI
InChI=1S/C20H19N3O3/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/h1-5,10,13,24H,6-9,11H2,(H,22,25)
InChIKey
HAVFFEMDLROBGI-UHFFFAOYSA-N
Compound name
4-[(4-hydroxypiperidin-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
3
Annotation Hits

3
References

261
Patents

349.14264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.149916 182.9
[M+Na]+ 372.131858 190.1
[M-H]- 348.135364 184.7
[M+NH4]+ 367.176463 191.7
[M+K]+ 388.105798 183.8
[M+H-H2O]+ 332.139900 171.1
[M+HCOO]- 394.140841 190.8
[M+CH3COO]- 408.156491 190.4
[M+Na-2H]- 370.117306 188.8
[M]+ 349.14209142 180.0
[M]- 349.14318858 180.0
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