CID 45088881

786700-19-4

Structural Information

Molecular Formula
C7H10N4O
SMILES
C1CNC(=O)N(C1)C2=CC=NN2
InChI
InChI=1S/C7H10N4O/c12-7-8-3-1-5-11(7)6-2-4-9-10-6/h2,4H,1,3,5H2,(H,8,12)(H,9,10)
InChIKey
CNSWEYOPMNZRMW-UHFFFAOYSA-N
Compound name
1-(1H-pyrazol-5-yl)-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

166.08546 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09274 136.8
[M+Na]+ 189.07468 143.6
[M-H]- 165.07818 135.0
[M+NH4]+ 184.11928 151.7
[M+K]+ 205.04862 139.8
[M+H-H2O]+ 149.08272 127.7
[M+HCOO]- 211.08366 151.9
[M+CH3COO]- 225.09931 147.3
[M+Na-2H]- 187.06013 140.8
[M]+ 166.08491 129.3
[M]- 166.08601 129.3
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