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]+ 352.165576 181.7
[M+Na]+ 374.147518 190.3
[M-H]- 350.151024 188.9
[M+NH4]+ 369.192123 192.4
[M+K]+ 390.121458 189.2
[M+H-H2O]+ 334.155560 172.0
[M+HCOO]- 396.156501 194.5
[M+CH3COO]- 410.172151 191.3
[M+Na-2H]- 372.132966 186.4
[M]+ 351.15775142 181.9
[M]- 351.15884858 181.9
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