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]+ 309.159746 172.4
[M+Na]+ 331.141688 178.9
[M-H]- 307.145194 174.9
[M+NH4]+ 326.186293 187.5
[M+K]+ 347.115628 173.4
[M+H-H2O]+ 291.149730 161.0
[M+HCOO]- 353.150671 179.6
[M+CH3COO]- 367.166321 180.8
[M+Na-2H]- 329.127136 178.4
[M]+ 308.15192142 166.5
[M]- 308.15301858 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.