CID 134102

Mopyridone

Structural Information

Molecular Formula
C9H17N3O2
SMILES
C1CNC(=O)N(C1)CN2CCOCC2
InChI
InChI=1S/C9H17N3O2/c13-9-10-2-1-3-12(9)8-11-4-6-14-7-5-11/h1-8H2,(H,10,13)
InChIKey
ZSWVOFMSMUXCLY-UHFFFAOYSA-N
Compound name
1-(morpholin-4-ylmethyl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

27
Patents

199.13208 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.13936 147.9
[M+Na]+ 222.12130 151.2
[M-H]- 198.12480 147.9
[M+NH4]+ 217.16590 160.1
[M+K]+ 238.09524 149.8
[M+H-H2O]+ 182.12934 138.4
[M+HCOO]- 244.13028 159.3
[M+CH3COO]- 258.14593 179.3
[M+Na-2H]- 220.10675 151.7
[M]+ 199.13153 139.4
[M]- 199.13263 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe