CID 391963

Nsc691650

Structural Information

Molecular Formula
C16H17N3O3
SMILES
C1CCCC2=C(CC1)C=C(C(=O)O2)NC(=O)C3=NC=CN=C3
InChI
InChI=1S/C16H17N3O3/c20-15(13-10-17-7-8-18-13)19-12-9-11-5-3-1-2-4-6-14(11)22-16(12)21/h7-10H,1-6H2,(H,19,20)
InChIKey
DGZUOTYPSRTGPC-UHFFFAOYSA-N
Compound name
N-(2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 161.5
[M+Na]+ 322.11620 165.9
[M-H]- 298.11970 163.9
[M+NH4]+ 317.16080 166.6
[M+K]+ 338.09014 165.5
[M+H-H2O]+ 282.12424 156.0
[M+HCOO]- 344.12518 169.3
[M+CH3COO]- 358.14083 165.4
[M+Na-2H]- 320.10165 162.4
[M]+ 299.12643 160.5
[M]- 299.12753 160.5
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.