CID 79296584

1437432-91-1

Structural Information

Molecular Formula
C9H11N3O
SMILES
CN1CCC(=O)NC2=C1C=CN=C2
InChI
InChI=1S/C9H11N3O/c1-12-5-3-9(13)11-7-6-10-4-2-8(7)12/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKey
SUESKKPTBIXDSA-UHFFFAOYSA-N
Compound name
1-methyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.8
[M+Na]+ 200.07943 146.7
[M+NH4]+ 195.12403 142.6
[M+K]+ 216.05337 142.4
[M-H]- 176.08293 135.9
[M+Na-2H]- 198.06488 141.1
[M]+ 177.08966 137.2
[M]- 177.09076 137.2
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.