CID 391961

Nsc691648

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C1CCC2=C(CC1)OC(=O)C(=C2)NC(=O)C3=NC=CN=C3
InChI
InChI=1S/C15H15N3O3/c19-14(12-9-16-6-7-17-12)18-11-8-10-4-2-1-3-5-13(10)21-15(11)20/h6-9H,1-5H2,(H,18,19)
InChIKey
VPRZPBRNCRLHQW-UHFFFAOYSA-N
Compound name
N-(2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyran-3-yl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 162.6
[M+Na]+ 308.10055 168.4
[M-H]- 284.10405 169.1
[M+NH4]+ 303.14515 173.9
[M+K]+ 324.07449 170.4
[M+H-H2O]+ 268.10859 153.4
[M+HCOO]- 330.10953 180.6
[M+CH3COO]- 344.12518 173.0
[M+Na-2H]- 306.08600 169.4
[M]+ 285.11078 158.9
[M]- 285.11188 158.9
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.