CID 3053752

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

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CN1CCC23C(C1)C(CC(=O)N2)C4=CC=CC=C4O3
InChI
InChI=1S/C15H18N2O2/c1-17-7-6-15-12(9-17)11(8-14(18)16-15)10-4-2-3-5-13(10)19-15/h2-5,11-12H,6-9H2,1H3,(H,16,18)
InChIKey
GNCARHIOYIKONO-UHFFFAOYSA-N
Compound name
12-methyl-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

258.13684 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.6
[M+Na]+ 281.12606 165.9
[M-H]- 257.12956 161.4
[M+NH4]+ 276.17066 176.0
[M+K]+ 297.10000 162.0
[M+H-H2O]+ 241.13410 150.0
[M+HCOO]- 303.13504 168.8
[M+CH3COO]- 317.15069 169.1
[M+Na-2H]- 279.11151 166.0
[M]+ 258.13629 153.6
[M]- 258.13739 153.6
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.