CID 3053765

4a,10-(iminoethano)-4ah-(1)benzopyrano(3,2-c)pyridin-12-one, 1,2,3,4,10,10a-hexahydro-2-acetyl-

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC(=O)N1CCC23C(C1)C(CC(=O)N2)C4=CC=CC=C4O3
InChI
InChI=1S/C16H18N2O3/c1-10(19)18-7-6-16-13(9-18)12(8-15(20)17-16)11-4-2-3-5-14(11)21-16/h2-5,12-13H,6-9H2,1H3,(H,17,20)
InChIKey
JEPQLCZESDURHO-UHFFFAOYSA-N
Compound name
12-acetyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-trien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 166.0
[M+Na]+ 309.120958 171.7
[M-H]- 285.124464 167.6
[M+NH4]+ 304.165563 181.0
[M+K]+ 325.094898 168.1
[M+H-H2O]+ 269.129000 156.4
[M+HCOO]- 331.129941 174.1
[M+CH3COO]- 345.145591 174.8
[M+Na-2H]- 307.106406 170.9
[M]+ 286.13119142 160.4
[M]- 286.13228858 160.4
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.