CID 75356196

4,8-dimethyl-1h,2h,3h,4h,5h-pyrido[2,3-b][1,4]diazepin-2-one

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC1CC(=O)NC2=C(N1)N=CC(=C2)C
InChI
InChI=1S/C10H13N3O/c1-6-3-8-10(11-5-6)12-7(2)4-9(14)13-8/h3,5,7H,4H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
XCJLRWAPEUWDTK-UHFFFAOYSA-N
Compound name
4,8-dimethyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.3
[M+Na]+ 214.09509 150.9
[M+NH4]+ 209.13969 146.7
[M+K]+ 230.06903 146.9
[M-H]- 190.09859 140.0
[M+Na-2H]- 212.08054 144.6
[M]+ 191.10532 141.6
[M]- 191.10642 141.6
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.