CID 628376

17236-29-2

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC
InChI
InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3
InChIKey
WUYQEGNOQLRQAQ-UHFFFAOYSA-N
Compound name
10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

429
Patents

311.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.4
[M+Na]+ 334.14135 182.5
[M-H]- 310.14485 179.0
[M+NH4]+ 329.18595 193.6
[M+K]+ 350.11529 177.9
[M+H-H2O]+ 294.14939 165.5
[M+HCOO]- 356.15033 189.8
[M+CH3COO]- 370.16598 184.8
[M+Na-2H]- 332.12680 176.5
[M]+ 311.15158 175.5
[M]- 311.15268 175.5
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