CID 162345337

Ns00133272

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=C2C(=NC=C1)NC=CC(=O)N2
InChI
InChI=1S/C9H9N3O/c1-6-2-4-10-9-8(6)12-7(13)3-5-11-9/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
MZWLNJQMKVQMQM-UHFFFAOYSA-N
Compound name
9-methyl-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.9
[M+Na]+ 198.063768 143.0
[M-H]- 174.067274 134.5
[M+NH4]+ 193.108373 150.1
[M+K]+ 214.037708 142.7
[M+H-H2O]+ 158.071810 127.2
[M+HCOO]- 220.072751 151.0
[M+CH3COO]- 234.088401 146.2
[M+Na-2H]- 196.049216 142.6
[M]+ 175.07400142 128.8
[M]- 175.07509858 128.8
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.