CID 85634496

Alkaloid aqc2

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCC12CCC3=C(CC(=O)OC(C1)C(=O)NC2)C4=CC=CC=C4N3
InChI
InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23)
InChIKey
YUPRHHFLOLUPFG-UHFFFAOYSA-N
Compound name
1-ethyl-15-oxa-5,18-diazatetracyclo[14.3.1.04,12.06,11]icosa-4(12),6,8,10-tetraene-14,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 176.3
[M+Na]+ 349.15228 187.9
[M+NH4]+ 344.19688 184.4
[M+K]+ 365.12622 180.9
[M-H]- 325.15578 177.7
[M+Na-2H]- 347.13773 177.7
[M]+ 326.16251 178.1
[M]- 326.16361 178.1
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