CID 3053766

70385-18-1

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CN1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC5=CC=CC=C54
InChI
InChI=1S/C19H20N2O2/c1-21-9-8-19-15(11-21)14(10-17(22)20-19)18-13-5-3-2-4-12(13)6-7-16(18)23-19/h2-7,14-15H,8-11H2,1H3,(H,20,22)
InChIKey
AYVCFJFEQGXWFG-UHFFFAOYSA-N
Compound name
16-methyl-2-oxa-16,19-diazapentacyclo[11.5.3.01,14.03,12.06,11]henicosa-3(12),4,6,8,10-pentaen-20-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.4
[M+Na]+ 331.14169 178.9
[M-H]- 307.14519 174.9
[M+NH4]+ 326.18629 187.5
[M+K]+ 347.11563 173.4
[M+H-H2O]+ 291.14973 161.0
[M+HCOO]- 353.15067 179.6
[M+CH3COO]- 367.16632 180.8
[M+Na-2H]- 329.12714 178.4
[M]+ 308.15192 166.5
[M]- 308.15302 166.5
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

No patent data available for this compound.