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 181.7
[M+Na]+ 374.14752 190.3
[M-H]- 350.15102 188.9
[M+NH4]+ 369.19212 192.4
[M+K]+ 390.12146 189.2
[M+H-H2O]+ 334.15556 172.0
[M+HCOO]- 396.15650 194.5
[M+CH3COO]- 410.17215 191.3
[M+Na-2H]- 372.13297 186.4
[M]+ 351.15775 181.9
[M]- 351.15885 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