CID 50990304

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

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1CNC2=C(C=CC=N2)NC1=O
InChI
InChI=1S/C8H9N3O/c12-7-3-5-10-8-6(11-7)2-1-4-9-8/h1-2,4H,3,5H2,(H,9,10)(H,11,12)
InChIKey
FTJBUDNRWYUVDD-UHFFFAOYSA-N
Compound name
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

2
Patents

163.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 131.7
[M+Na]+ 186.06377 138.2
[M-H]- 162.06727 130.6
[M+NH4]+ 181.10837 146.8
[M+K]+ 202.03771 138.2
[M+H-H2O]+ 146.07181 123.7
[M+HCOO]- 208.07275 146.7
[M+CH3COO]- 222.08840 142.5
[M+Na-2H]- 184.04922 139.6
[M]+ 163.07400 123.5
[M]- 163.07510 123.5
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

patents stripe