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

8
Patents

166.08546 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.092736 136.8
[M+Na]+ 189.074678 143.6
[M-H]- 165.078184 135.0
[M+NH4]+ 184.119283 151.7
[M+K]+ 205.048618 139.8
[M+H-H2O]+ 149.082720 127.7
[M+HCOO]- 211.083661 151.9
[M+CH3COO]- 225.099311 147.3
[M+Na-2H]- 187.060126 140.8
[M]+ 166.08491142 129.3
[M]- 166.08600858 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