CID 3068504

83494-72-8

Structural Information

Molecular Formula
C20H21N3O3
SMILES
C1CC2=C3C(=CO2)C(=O)N(N=C3C4=CC=CC=C41)CCN5CCOCC5
InChI
InChI=1S/C20H21N3O3/c24-20-16-13-26-17-6-5-14-3-1-2-4-15(14)19(18(16)17)21-23(20)8-7-22-9-11-25-12-10-22/h1-4,13H,5-12H2
InChIKey
UZEFAZPZPKJHAQ-UHFFFAOYSA-N
Compound name
15-(2-morpholin-4-ylethyl)-11-oxa-15,16-diazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),12-hexaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.1583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 186.6
[M+Na]+ 374.14752 199.9
[M+NH4]+ 369.19212 193.7
[M+K]+ 390.12146 195.2
[M-H]- 350.15102 191.7
[M+Na-2H]- 372.13297 189.7
[M]+ 351.15775 190.1
[M]- 351.15885 190.1
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

patents stripe